 Entering Gaussian System, Link 0=g16
 Input=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-def2SVPDr.in
 Output=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/19_methylcyclohexanone_Chair_STD/Gau-25123.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/19_methylcyclohexanone_Chair_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     25127.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=19_methylcyclohexanone_Chair_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.277695000000     -0.308554000000      0.104897000000
  C                                                 1.175743000000      1.198361000000     -0.017190000000
  C                                                -0.229896000000      1.635230000000     -0.460001000000
  C                                                -1.314447000000      1.003685000000      0.413155000000
  C                                                -1.220070000000     -0.528631000000      0.454249000000
  C                                                 0.183893000000     -0.956062000000      0.929807000000
  O                                                 2.160019000000     -0.945956000000     -0.423269000000
  H                                                 1.949005000000      1.548357000000     -0.699939000000
  H                                                 1.382913000000      1.620529000000      0.973456000000
  H                                                -0.380069000000      1.352660000000     -1.504779000000
  H                                                -0.302484000000      2.723979000000     -0.423105000000
  H                                                -2.302821000000      1.300947000000      0.053848000000
  H                                                -1.222375000000      1.391636000000      1.433196000000
  C                                                -1.562572000000     -1.173371000000     -0.890254000000
  H                                                -1.943141000000     -0.891173000000      1.190510000000
  H                                                 0.310624000000     -2.037815000000      0.892211000000
  H                                                 0.321376000000     -0.633428000000      1.968024000000
  H                                                -0.841880000000     -0.909433000000     -1.666448000000
  H                                                -2.551661000000     -0.861028000000     -1.231130000000
  H                                                -1.561715000000     -2.261533000000     -0.807673000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     20 NQM=       20 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1          12           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           0           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               2.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.515286   0.000000
     3  C    2.523933   1.537126   0.000000
     4  C    2.921677   2.534589   1.528889   0.000000
     5  C    2.531662   2.990765   2.549234   1.535770   0.000000
     6  C    1.515304   2.553842   2.969441   2.520429   1.542713
     7  O    1.209850   2.394117   3.517892   4.070948   3.516987
     8  H    2.132261   1.089301   2.193793   3.490811   3.960942
     9  H    2.118213   1.096597   2.157816   2.823152   3.415258
    10  H    2.845851   2.158073   1.092684   2.161786   2.843000
    11  H    3.460059   2.162737   1.091790   2.163980   3.491588
    12  H    3.925964   3.480801   2.161667   1.092863   2.163337
    13  H    3.302329   2.809261   2.151406   1.095202   2.155404
    14  C    3.131350   3.726355   3.138373   2.549512   1.529930
    15  H    3.448447   3.943619   3.470174   2.142434   1.093777
    16  H    2.132002   3.471063   3.951190   3.481533   2.193735
    17  H    2.119276   2.833102   3.368385   2.788131   2.162996
    18  H    2.826892   3.351664   2.881900   2.864976   2.187554
    19  H    4.093185   4.428123   3.495216   2.776963   2.173505
    20  H    3.564991   4.482121   4.132721   3.494740   2.170741
                    6          7          8          9         10
     6  C    0.000000
     7  O    2.394993   0.000000
     8  H    3.470419   2.518466   0.000000
     9  H    2.842248   3.023505   1.768027   0.000000
    10  H    3.402273   3.592401   2.471973   3.053114   0.000000
    11  H    3.950903   4.419541   2.554981   2.451234   1.748300
    12  H    3.470611   5.019278   4.325209   3.812145   2.475675
    13  H    2.782566   4.511251   3.825242   2.655424   3.056582
    14  C    2.531795   3.758654   4.446931   4.467121   2.856009
    15  H    2.143933   4.409445   4.967283   4.173535   3.839605
    16  H    1.089800   2.518513   4.252042   3.813120   4.209268
    17  H    1.095851   3.032584   3.811481   2.682601   4.061641
    18  H    2.791939   3.249342   3.842383   4.280129   2.314405
    19  H    3.487397   4.781190   5.132572   5.147737   3.113055
    20  H    2.787515   3.966083   5.181894   5.187838   3.865829
                   11         12         13         14         15
    11  H    0.000000
    12  H    2.500770   0.000000
    13  H    2.463167   1.754477   0.000000
    14  C    4.122546   2.749827   3.477559   0.000000
    15  H    4.285421   2.495348   2.406162   2.134021   0.000000
    16  H    4.978016   4.322069   3.795245   2.726409   2.546218
    17  H    4.168799   3.780514   2.601940   3.465624   2.408111
    18  H    3.877955   3.159042   3.879109   1.091576   3.061914
    19  H    4.308593   2.527296   3.733648   1.091811   2.497107
    20  H    5.156441   3.739348   4.299103   1.091291   2.452775
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.769122   0.000000
    18  H    3.024607   3.826059   0.000000
    19  H    3.753143   4.305895   1.764992   0.000000
    20  H    2.538761   3.728438   1.756084   1.766557   0.000000
 Stoichiometry    C7H12O
 Framework group  C1[X(C7H12O)]
 Deg. of freedom    54
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.89D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.277695   -0.308554    0.104897
      2          6           0        1.175743    1.198361   -0.017190
      3          6           0       -0.229896    1.635230   -0.460001
      4          6           0       -1.314447    1.003685    0.413155
      5          6           0       -1.220070   -0.528631    0.454249
      6          6           0        0.183893   -0.956062    0.929807
      7          8           0        2.160019   -0.945956   -0.423269
      8          1           0        1.949005    1.548357   -0.699939
      9          1           0        1.382913    1.620529    0.973456
     10          1           0       -0.380069    1.352660   -1.504779
     11          1           0       -0.302484    2.723979   -0.423105
     12          1           0       -2.302821    1.300947    0.053848
     13          1           0       -1.222375    1.391636    1.433196
     14          6           0       -1.562572   -1.173371   -0.890254
     15          1           0       -1.943141   -0.891173    1.190510
     16          1           0        0.310624   -2.037815    0.892211
     17          1           0        0.321376   -0.633428    1.968024
     18          1           0       -0.841880   -0.909433   -1.666448
     19          1           0       -2.551661   -0.861028   -1.231130
     20          1           0       -1.561715   -2.261533   -0.807673
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.7433685           1.9933769           1.4701036
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     15     16     17     18
 Centers:      19     20
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   275 symmetry adapted cartesian basis functions of A   symmetry.
 There are   259 symmetry adapted basis functions of A   symmetry.
   259 basis functions,   379 primitive gaussians,   275 cartesian basis functions
    31 alpha electrons       31 beta electrons
       nuclear repulsion energy       394.1249269825 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   20 NActive=   20 NUniq=   20 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0329759034 Hartrees.
 Nuclear repulsion after empirical dispersion term =      394.0919510791 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:               7.2 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   259 RedAO= T EigKep=  5.77D-05  NBF=   259
 NBsUse=   259 1.00D-06 EigRej= -1.00D+00 NBFU=   259
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   275   275   275   275   275 MxSgAt=    20 MxSgA2=    20.
 Leave Link  302 at Fri Jul 16 13:10:06 2021, MaxMem=  5637144576 cpu:               7.9 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "19_methylcyclohexanone_Chair_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:10 2021, MaxMem=  5637144576 cpu:              15.9 elap:               2.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636988312 LenY=  5636912246
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -349.001976665672    
 DIIS: error= 2.85D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -349.001976665672     IErMin= 1 ErrMin= 2.85D-03
 ErrMax= 2.85D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-03 BMatP= 6.36D-03
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.85D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.42D-03 MaxDP=2.09D-01              OVMax= 1.51D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.39D-03    CP:  1.03D+00
 E= -349.007546615768     Delta-E=       -0.005569950096 Rises=F Damp=F
 DIIS: error= 9.29D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -349.007546615768     IErMin= 2 ErrMin= 9.29D-04
 ErrMax= 9.29D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.54D-04 BMatP= 6.36D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.29D-03
 Coeff-Com:  0.492D-01 0.951D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.487D-01 0.951D+00
 Gap=     0.223 Goal=   None    Shift=    0.000
 RMSDP=2.48D-04 MaxDP=8.36D-03 DE=-5.57D-03 OVMax= 8.95D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.02D-04    CP:  1.03D+00  1.03D+00
 E= -349.007269607162     Delta-E=        0.000277008606 Rises=F Damp=F
 DIIS: error= 1.41D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -349.007546615768     IErMin= 2 ErrMin= 9.29D-04
 ErrMax= 1.41D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-04 BMatP= 2.54D-04
 IDIUse=3 WtCom= 2.10D-01 WtEn= 7.90D-01
 Coeff-Com: -0.111D-01 0.622D+00 0.389D+00
 Coeff-En:   0.000D+00 0.671D+00 0.329D+00
 Coeff:     -0.233D-02 0.661D+00 0.342D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.03D-04 MaxDP=5.24D-03 DE= 2.77D-04 OVMax= 6.05D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.09D-05    CP:  1.03D+00  1.03D+00  6.49D-01
 E= -349.007750376961     Delta-E=       -0.000480769799 Rises=F Damp=F
 DIIS: error= 1.68D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -349.007750376961     IErMin= 4 ErrMin= 1.68D-04
 ErrMax= 1.68D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.38D-05 BMatP= 2.54D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.68D-03
 Coeff-Com: -0.893D-02 0.330D+00 0.188D+00 0.492D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.891D-02 0.329D+00 0.187D+00 0.493D+00
 Gap=     0.219 Goal=   None    Shift=    0.000
 RMSDP=2.75D-05 MaxDP=8.92D-04 DE=-4.81D-04 OVMax= 7.20D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.36D-05    CP:  1.03D+00  1.03D+00  5.88D-01  9.48D-01
 E= -349.007764231172     Delta-E=       -0.000013854210 Rises=F Damp=F
 DIIS: error= 3.70D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -349.007764231172     IErMin= 5 ErrMin= 3.70D-05
 ErrMax= 3.70D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.35D-07 BMatP= 1.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.220D-02 0.478D-01 0.308D-01 0.162D+00 0.761D+00
 Coeff:     -0.220D-02 0.478D-01 0.308D-01 0.162D+00 0.761D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=9.81D-06 MaxDP=3.91D-04 DE=-1.39D-05 OVMax= 1.39D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  7.39D-06    CP:  1.03D+00  1.03D+00  5.95D-01  9.34D-01  8.21D-01
 E= -349.007764635798     Delta-E=       -0.000000404626 Rises=F Damp=F
 DIIS: error= 9.07D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -349.007764635798     IErMin= 6 ErrMin= 9.07D-06
 ErrMax= 9.07D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-08 BMatP= 4.35D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.412D-03 0.118D-03 0.251D-02 0.376D-01 0.345D+00 0.615D+00
 Coeff:     -0.412D-03 0.118D-03 0.251D-02 0.376D-01 0.345D+00 0.615D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.77D-06 MaxDP=7.60D-05 DE=-4.05D-07 OVMax= 4.52D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.72D-06    CP:  1.03D+00  1.03D+00  5.98D-01  9.38D-01  8.58D-01
                    CP:  7.47D-01
 E= -349.007764689732     Delta-E=       -0.000000053934 Rises=F Damp=F
 DIIS: error= 2.66D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -349.007764689732     IErMin= 7 ErrMin= 2.66D-06
 ErrMax= 2.66D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.08D-09 BMatP= 5.79D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.116D-03-0.146D-02 0.185D-03 0.105D-01 0.128D+00 0.289D+00
 Coeff-Com:  0.574D+00
 Coeff:     -0.116D-03-0.146D-02 0.185D-03 0.105D-01 0.128D+00 0.289D+00
 Coeff:      0.574D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.80D-07 MaxDP=1.40D-05 DE=-5.39D-08 OVMax= 1.44D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.43D-07    CP:  1.03D+00  1.03D+00  5.98D-01  9.40D-01  8.66D-01
                    CP:  7.30D-01  8.54D-01
 E= -349.007764692931     Delta-E=       -0.000000003198 Rises=F Damp=F
 DIIS: error= 5.38D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -349.007764692931     IErMin= 8 ErrMin= 5.38D-07
 ErrMax= 5.38D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.20D-10 BMatP= 3.08D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.285D-05-0.543D-03-0.133D-03-0.298D-04 0.136D-01 0.428D-01
 Coeff-Com:  0.197D+00 0.748D+00
 Coeff:     -0.285D-05-0.543D-03-0.133D-03-0.298D-04 0.136D-01 0.428D-01
 Coeff:      0.197D+00 0.748D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.27D-07 MaxDP=3.07D-06 DE=-3.20D-09 OVMax= 2.30D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.64D-08    CP:  1.03D+00  1.03D+00  5.98D-01  9.40D-01  8.66D-01
                    CP:  7.37D-01  8.61D-01  8.69D-01
 E= -349.007764693049     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 8.00D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -349.007764693049     IErMin= 9 ErrMin= 8.00D-08
 ErrMax= 8.00D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.87D-12 BMatP= 1.20D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.477D-05-0.139D-03-0.446D-04-0.572D-03-0.116D-02 0.204D-02
 Coeff-Com:  0.470D-01 0.282D+00 0.671D+00
 Coeff:      0.477D-05-0.139D-03-0.446D-04-0.572D-03-0.116D-02 0.204D-02
 Coeff:      0.470D-01 0.282D+00 0.671D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.35D-08 MaxDP=7.45D-07 DE=-1.19D-10 OVMax= 5.17D-07

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.83D-08    CP:  1.03D+00  1.03D+00  5.98D-01  9.40D-01  8.66D-01
                    CP:  7.37D-01  8.68D-01  8.72D-01  7.45D-01
 E= -349.007764693055     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.94D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -349.007764693055     IErMin=10 ErrMin= 1.94D-08
 ErrMax= 1.94D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-13 BMatP= 6.87D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.162D-05-0.305D-04-0.222D-05-0.200D-03-0.749D-03-0.421D-03
 Coeff-Com:  0.104D-01 0.753D-01 0.236D+00 0.680D+00
 Coeff:      0.162D-05-0.305D-04-0.222D-05-0.200D-03-0.749D-03-0.421D-03
 Coeff:      0.104D-01 0.753D-01 0.236D+00 0.680D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.06D-09 MaxDP=1.72D-07 DE=-6.14D-12 OVMax= 1.16D-07

 SCF Done:  E(RB3LYP) =  -349.007764693     A.U. after   10 cycles
            NFock= 10  Conv=0.51D-08     -V/T= 2.0115
 KE= 3.450380691404D+02 PE=-1.597068714031D+03 EE= 5.089309291186D+02
 Leave Link  502 at Fri Jul 16 13:11:27 2021, MaxMem=  5637144576 cpu:             618.9 elap:              77.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   259
 NBasis=   259 NAE=    31 NBE=    31 NFC=     0 NFV=     0
 NROrb=    259 NOA=    31 NOB=    31 NVA=   228 NVB=   228

 **** Warning!!: The largest alpha MO coefficient is  0.27297964D+02

 Leave Link  801 at Fri Jul 16 13:11:28 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         6052 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          20
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.18D-13 8.33D-09 XBig12= 1.00D+00 3.28D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.18D-13 8.33D-09 XBig12= 2.12D-01 1.05D-01.
     11 vectors produced by pass  2 Test12= 1.18D-13 8.33D-09 XBig12= 2.94D-02 2.28D-02.
     11 vectors produced by pass  3 Test12= 1.18D-13 8.33D-09 XBig12= 1.80D-03 7.09D-03.
     11 vectors produced by pass  4 Test12= 1.18D-13 8.33D-09 XBig12= 5.45D-05 1.37D-03.
     11 vectors produced by pass  5 Test12= 1.18D-13 8.33D-09 XBig12= 9.73D-07 2.20D-04.
     11 vectors produced by pass  6 Test12= 1.18D-13 8.33D-09 XBig12= 1.82D-08 2.59D-05.
     11 vectors produced by pass  7 Test12= 1.18D-13 8.33D-09 XBig12= 2.25D-10 2.78D-06.
     10 vectors produced by pass  8 Test12= 1.18D-13 8.33D-09 XBig12= 1.57D-12 1.80D-07.
      3 vectors produced by pass  9 Test12= 1.18D-13 8.33D-09 XBig12= 1.02D-14 1.27D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.16D-14
 Solved reduced A of dimension   101 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.912338D+02
      2 -0.156010D+01  0.887605D+02
      3 -0.239010D+01  0.429540D+00  0.770063D+02
 Isotropic polarizability for W=    0.093368       85.67 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.266784D+02 -0.192714D+02 -0.263963D+02
      2   0.155316D+02  0.208456D+02  0.142688D+01
      3   0.111469D+02 -0.157425D+01  0.249694D+02
      4  -0.294291D+01 -0.219480D+02 -0.186850D+01
      5  -0.231291D+02 -0.181131D+01 -0.343001D+02
      6   0.548421D+00 -0.279403D+01  0.788277D+01
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.808683D+00  0.394713D+01 -0.337690D+01
      2  -0.129948D+02 -0.298440D+00 -0.163009D+02
      3   0.109249D+02  0.108593D+02  0.143121D+01
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1   0.571869D-01 -0.422091D+01 -0.945701D+01
      2  -0.326720D+01 -0.241692D+01 -0.454470D+02
      3   0.163285D+02  0.374796D+02  0.235973D+01
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1   0.580680D+00  0.132591D+01 -0.102806D+01
      2   0.132591D+01 -0.292968D+00  0.364466D+00
      3  -0.102806D+01  0.364466D+00  0.363717D-01
 OR G Eigenvalues:    -1.7384     0.2662     1.7963  Iso=    -0.1080
 Eigenvectors:
   (1)  -0.585920   0.657051  -0.474322
   (2)   0.037605   0.606732   0.794017
   (3)   0.809496   0.447394  -0.380205
 w=    0.093368 a.u., Optical Rotation Beta=     -0.1080 au.
 Molar Mass =    112.1712 grams/mole, [Alpha] ( 4880.0 A) =      -54.28 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   33670 ScalPx= 2.18D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.52D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.96D-14 2.78D-09 XBig12= 1.00D+00 3.54D-01.
     30 vectors produced by pass  1 Test12= 1.96D-14 2.78D-09 XBig12= 7.74D-02 3.97D-02.
     30 vectors produced by pass  2 Test12= 1.96D-14 2.78D-09 XBig12= 9.85D-04 3.43D-03.
     30 vectors produced by pass  3 Test12= 1.96D-14 2.78D-09 XBig12= 1.10D-05 4.25D-04.
     30 vectors produced by pass  4 Test12= 1.96D-14 2.78D-09 XBig12= 8.33D-08 3.63D-05.
     30 vectors produced by pass  5 Test12= 1.96D-14 2.78D-09 XBig12= 2.62D-10 1.43D-06.
     30 vectors produced by pass  6 Test12= 1.96D-14 2.78D-09 XBig12= 4.19D-13 6.82D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   210 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 1.10D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   33670 ScalPx= 1.10D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   33670 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 6.96D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.912338D+02 -0.156010D+01 -0.239010D+01
      2  -0.156010D+01  0.887605D+02  0.429540D+00
      3  -0.239010D+01  0.429540D+00  0.770063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.808683D+00  0.394713D+01 -0.337690D+01
      2  -0.129948D+02 -0.298440D+00 -0.163009D+02
      3   0.109249D+02  0.108593D+02  0.143121D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.266784D+02 -0.192714D+02 -0.263963D+02
      2   0.155316D+02  0.208456D+02  0.142688D+01
      3   0.111469D+02 -0.157425D+01  0.249694D+02
      4  -0.294291D+01 -0.219480D+02 -0.186850D+01
      5  -0.231291D+02 -0.181131D+01 -0.343001D+02
      6   0.548421D+00 -0.279403D+01  0.788277D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.372022D+01  0.484062D+01  0.922311D+00  0.503658D+01 -0.151614D+01
      2   0.484062D+01 -0.289496D+00 -0.253763D+01 -0.151614D+01 -0.295642D+01
      3   0.922311D+00 -0.253763D+01  0.459141D+00 -0.228699D+01  0.168918D+01
                 6             7             8             9            10 
      1  -0.228699D+01  0.177029D+01 -0.286535D+01 -0.973900D-01 -0.552875D-01
      2   0.168918D+01 -0.286535D+01  0.116610D+01  0.198342D+01 -0.411745D+01
      3   0.190885D+01 -0.973900D-01  0.198342D+01  0.108262D+01  0.261587D+01
                11            12            13            14            15 
      1  -0.411745D+01  0.261587D+01 -0.372191D+01  0.489424D+00  0.818301D+00
      2  -0.325530D+00  0.652978D+00  0.489424D+00  0.266403D+01 -0.157633D+01
      3   0.652978D+00 -0.277937D+01  0.818301D+00 -0.157633D+01 -0.246914D+01
                16            17            18            19            20 
      1   0.423420D+01  0.517269D+00 -0.333909D+01 -0.313503D+01  0.329700D+01
      2   0.517269D+00 -0.172699D+01 -0.362014D+01  0.329700D+01 -0.535745D+00
      3  -0.333909D+01 -0.362014D+01 -0.319004D+01 -0.170524D+01 -0.113337D+00
                21            22            23            24            25 
      1  -0.170524D+01  0.209192D+01  0.971667D+00 -0.127860D+00 -0.205186D+01
      2  -0.113337D+00  0.971667D+00 -0.827970D+01  0.643764D+00  0.920442D-01
      3   0.170769D+01 -0.127860D+00  0.643764D+00  0.198919D+01  0.180756D+01
                26            27            28            29            30 
      1   0.920442D-01  0.180756D+01  0.655110D+01 -0.372953D+01  0.286391D+01
      2  -0.543943D+00  0.195934D+01 -0.372953D+01  0.235947D+00 -0.134042D+00
      3   0.195934D+01  0.616935D+01  0.286391D+01 -0.134042D+00 -0.886835D+00
                31            32            33            34            35 
      1  -0.343197D+01 -0.118185D+00  0.185199D-01  0.410833D+01 -0.366962D+00
      2  -0.118185D+00  0.426275D+01 -0.399959D+00 -0.366962D+00 -0.839023D+00
      3   0.185199D-01 -0.399959D+00 -0.281163D+01 -0.517562D+00 -0.377614D+01
                36            37            38            39            40 
      1  -0.517562D+00 -0.415892D+01  0.306489D+01 -0.374224D+01  0.432165D+01
      2  -0.377614D+01  0.306489D+01  0.102107D+01  0.619904D-01  0.901976D+00
      3  -0.593793D+01 -0.374224D+01  0.619904D-01  0.274986D+01 -0.169746D+00
                41            42            43            44            45 
      1   0.901976D+00 -0.169746D+00 -0.497283D+01 -0.126645D+00  0.360452D+01
      2  -0.481782D+01 -0.934008D-01 -0.126645D+00  0.275173D+00  0.383944D+01
      3  -0.934008D-01  0.336305D+01  0.360452D+01  0.383944D+01  0.113857D+01
                46            47            48            49            50 
      1   0.459166D+01 -0.286747D+01  0.152084D+01 -0.209268D+01 -0.190428D+01
      2  -0.286747D+01 -0.185016D+01  0.692307D+00 -0.190428D+01  0.768342D+01
      3   0.152084D+01  0.692307D+00 -0.139308D+01  0.373557D+00 -0.290453D+00
                51            52            53            54            55 
      1   0.373557D+00  0.119324D+01  0.189090D+00 -0.756927D+00  0.114099D+02
      2  -0.290453D+00  0.189090D+00  0.758757D+00 -0.231544D+01 -0.495544D+01
      3  -0.300295D+01 -0.756927D+00 -0.231544D+01 -0.576808D+01 -0.271074D+01
                56            57            58            59            60 
      1  -0.495544D+01 -0.271074D+01 -0.533017D+01  0.445346D+01  0.164669D+01
      2   0.301419D+01  0.139802D+01  0.445346D+01 -0.425605D+01 -0.204135D+01
      3   0.139802D+01  0.156532D+01  0.164669D+01 -0.204135D+01 -0.174890D+01
                61            62            63            64            65 
      1  -0.389034D+01  0.219400D+01  0.338155D+01  0.584750D+01  0.256525D+01
      2   0.219400D+01 -0.190906D+01 -0.270993D+01  0.256525D+01  0.210842D+01
      3   0.338155D+01 -0.270993D+01 -0.337210D+01 -0.247631D+01 -0.104064D+01
                66            67            68            69            70 
      1  -0.247631D+01  0.182237D+01  0.168943D+01 -0.573460D+00 -0.355434D+01
      2  -0.104064D+01  0.168943D+01  0.151347D+01 -0.923752D+00 -0.136442D+01
      3   0.189061D+01 -0.573460D+00 -0.923752D+00  0.963920D+00  0.250613D+01
                71            72            73            74            75 
      1  -0.136442D+01  0.250613D+01  0.844370D+00  0.166559D+01  0.102110D+01
      2  -0.156254D+01  0.178359D+01  0.166559D+01  0.580987D+00  0.534983D+00
      3   0.178359D+01 -0.251137D+01  0.102110D+01  0.534983D+00  0.102444D+01
                76            77            78            79            80 
      1   0.146314D+01  0.708340D+00  0.539936D+00  0.169487D+01  0.878572D+00
      2   0.708340D+00  0.240056D+01  0.196968D+01  0.878572D+00  0.341575D+01
      3   0.539936D+00  0.196968D+01  0.200620D+01  0.202921D+01  0.286377D+01
                81            82            83            84            85 
      1   0.202921D+01 -0.293460D+00 -0.494034D+00 -0.893426D+00 -0.861253D+00
      2   0.286377D+01 -0.494034D+00 -0.157941D+00  0.817705D-01 -0.477857D+00
      3   0.562911D+01 -0.893426D+00  0.817705D-01 -0.834148D+00 -0.203820D+00
                86            87            88            89            90 
      1  -0.477857D+00 -0.203820D+00 -0.153943D+01 -0.131697D+00 -0.122762D+01
      2   0.152520D+00 -0.107232D+01 -0.131697D+00 -0.128048D+01  0.268833D+00
      3  -0.107232D+01 -0.111807D+01 -0.122762D+01  0.268833D+00 -0.795574D+01
                91            92            93            94            95 
      1  -0.121392D+00  0.126599D+01  0.169206D+00  0.152314D+01 -0.110030D+01
      2   0.126599D+01 -0.725804D+00  0.471796D-01 -0.110030D+01  0.124906D+02
      3   0.169206D+00  0.471796D-01 -0.332793D+00  0.115936D+00 -0.126995D+01
                96            97            98            99           100 
      1   0.115936D+00  0.428825D+00 -0.223382D-01 -0.388420D+00 -0.961824D+01
      2  -0.126995D+01 -0.223382D-01  0.721959D-01  0.119845D+01  0.296124D+01
      3   0.891421D+00 -0.388420D+00  0.119845D+01 -0.793726D+00 -0.120019D+01
               101           102           103           104           105 
      1   0.296124D+01 -0.120019D+01  0.218833D+01 -0.202927D+01  0.148744D+00
      2  -0.228488D+01  0.276638D+00 -0.202927D+01  0.116684D+01 -0.369740D+00
      3   0.276638D+00 -0.103246D+01  0.148744D+00 -0.369740D+00  0.655464D+00
               106           107           108           109           110 
      1  -0.250081D+01  0.743120D+00 -0.138952D+01 -0.485518D+00  0.972840D+00
      2   0.743120D+00 -0.916619D+00  0.101367D+01  0.972840D+00  0.273829D+00
      3  -0.138952D+01  0.101367D+01 -0.304296D+00  0.778119D+00  0.513844D-01
               111           112           113           114           115 
      1   0.778119D+00  0.907480D+00 -0.133458D+00 -0.348642D+00  0.107832D+01
      2   0.513844D-01 -0.133458D+00  0.165903D+01  0.203815D+01 -0.268233D+00
      3   0.406826D+00 -0.348642D+00  0.203815D+01  0.235655D+01 -0.863064D+00
               116           117           118           119           120 
      1  -0.268233D+00 -0.863064D+00  0.481191D+01 -0.206515D+01  0.396350D+01
      2   0.284864D+01  0.307762D+01 -0.206515D+01 -0.451419D+00 -0.474689D+00
      3   0.307762D+01  0.776326D+01  0.396350D+01 -0.474689D+00 -0.154321D+01
               121           122           123           124           125 
      1  -0.293644D+01  0.352896D+00 -0.898136D+00  0.340404D+01 -0.513867D+00
      2   0.352896D+00  0.751291D+01 -0.141932D+00 -0.513867D+00 -0.138073D+01
      3  -0.898136D+00 -0.141932D+00 -0.257317D+01 -0.230206D+01 -0.282220D+01
               126           127           128           129           130 
      1  -0.230206D+01 -0.525811D+01 -0.204914D+01  0.321654D+01 -0.209403D+01
      2  -0.282220D+01 -0.204914D+01 -0.167550D+01  0.817273D+00 -0.181769D+01
      3  -0.312009D+00  0.321654D+01  0.817273D+00 -0.300831D+01  0.853304D+00
               131           132           133           134           135 
      1  -0.181769D+01  0.853304D+00  0.367836D+01  0.101375D+01 -0.326179D+01
      2  -0.113274D+01  0.133097D+01  0.101375D+01  0.141860D+01 -0.182958D+01
      3   0.133097D+01 -0.169798D+01 -0.326179D+01 -0.182958D+01  0.422026D+01
               136           137           138           139           140 
      1   0.210019D+00 -0.113267D+01 -0.116457D+00 -0.147322D+01  0.105096D+01
      2  -0.113267D+01  0.121229D+01 -0.346249D+00  0.105096D+01 -0.965913D+01
      3  -0.116457D+00 -0.346249D+00  0.261674D+00 -0.372994D+00  0.148956D+01
               141           142           143           144           145 
      1  -0.372994D+00 -0.386661D+00 -0.354344D-01  0.243210D+00 -0.487391D+00
      2   0.148956D+01 -0.354344D-01 -0.236609D+00 -0.100759D+01  0.528687D+00
      3  -0.122348D+01  0.243210D+00 -0.100759D+01  0.902155D+00  0.115639D+01
               146           147           148           149           150 
      1   0.528687D+00  0.115639D+01  0.126913D+01  0.386837D+00  0.201107D-01
      2   0.219127D+00 -0.176274D+00  0.386837D+00 -0.705768D-01  0.117704D+01
      3  -0.176274D+00  0.110037D+01  0.201107D-01  0.117704D+01  0.185326D+01
               151           152           153           154           155 
      1   0.146796D+01  0.106347D+00  0.835092D+00  0.219590D+01  0.796228D+00
      2   0.106347D+00  0.121150D+01  0.310334D+00  0.796228D+00  0.114292D+01
      3   0.835092D+00  0.310334D+00  0.959284D+01 -0.157556D+01  0.145004D+00
               156           157           158           159           160 
      1  -0.157556D+01  0.857250D+00  0.614732D+00 -0.414178D-01 -0.183784D+01
      2   0.145004D+00  0.614732D+00 -0.774064D-01 -0.592531D+00 -0.283151D+00
      3   0.267703D+01 -0.414178D-01 -0.592531D+00  0.892178D+00  0.144248D+01
               161           162           163           164           165 
      1  -0.283151D+00  0.144248D+01 -0.832974D+01  0.379538D+00 -0.335253D+01
      2  -0.982764D+00  0.233912D+00  0.379538D+00 -0.139965D+01 -0.374948D-01
      3   0.233912D+00 -0.461741D+01 -0.335253D+01 -0.374948D-01 -0.226799D+01
               166           167           168           169           170 
      1   0.182048D+01 -0.106174D+01  0.828432D+00 -0.221203D+01  0.182731D+00
      2  -0.106174D+01 -0.435414D-01 -0.393762D+00  0.182731D+00 -0.182059D+00
      3   0.828432D+00 -0.393762D+00  0.107748D+01 -0.181967D+01  0.331725D+00
               171           172           173           174           175 
      1  -0.181967D+01 -0.799090D+00 -0.926994D+00 -0.455086D+00 -0.135981D+01
      2   0.331725D+00 -0.926994D+00 -0.112644D+00  0.100827D+00 -0.146081D+01
      3  -0.173600D+01 -0.455086D+00  0.100827D+00  0.235234D+00 -0.340464D+00
               176           177           178           179           180 
      1  -0.146081D+01 -0.340464D+00 -0.112289D+00  0.611745D-01  0.113350D+00
      2  -0.102127D+02 -0.117286D+01  0.611745D-01  0.394096D+00 -0.783071D+00
      3  -0.117286D+01 -0.131225D+01  0.113350D+00 -0.783071D+00  0.525160D-03
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.750409D+01  0.911751D+01 -0.253230D+01  0.867448D+01 -0.161972D+01
      2  -0.874674D+01 -0.962034D+01 -0.159003D+01 -0.866438D+01  0.158201D+01
      3  -0.509263D+01 -0.762373D+01  0.335137D+01  0.120400D+01 -0.976459D+00
                 6             7             8             9            10 
      1   0.691975D+01 -0.170990D+01  0.144301D+02 -0.409901D+01 -0.691947D+01
      2   0.610382D-01 -0.121791D+02 -0.176299D+01  0.115684D+02  0.879210D+01
      3  -0.736732D+01  0.131135D+01 -0.111036D+02  0.195393D+01  0.129800D+02
                11            12            13            14            15 
      1  -0.150512D+00  0.303137D+01 -0.312406D+01  0.229599D+01 -0.141662D+01
      2   0.160524D+01 -0.279162D+01  0.258599D+01 -0.279787D+01 -0.247616D+01
      3  -0.845181D+01  0.275619D+01 -0.483706D+00 -0.477989D+01  0.472087D+01
                16            17            18            19            20 
      1   0.349190D+01  0.928946D+01  0.654786D+01  0.509572D+01 -0.165774D+01
      2  -0.887023D+01 -0.443075D+01 -0.543325D+01 -0.114526D+01  0.152306D+01
      3   0.428720D+01  0.308196D+01 -0.266374D+00 -0.844516D+01  0.945147D+01
                21            22            23            24            25 
      1  -0.259770D+01  0.162135D+01  0.219399D+01 -0.695543D+01 -0.306671D+01
      2   0.323709D+00 -0.899394D+00  0.419850D+01 -0.120165D+01 -0.525146D+01
      3  -0.525385D+01  0.934140D+01  0.176131D+01 -0.216350D+01 -0.536861D+01
                26            27            28            29            30 
      1  -0.103694D+01 -0.130545D+02 -0.563705D+01  0.570450D+00  0.104791D+01
      2  -0.118008D+00  0.408283D+00 -0.104998D+02  0.153349D+01  0.248311D+01
      3  -0.158179D+01  0.351721D+01  0.105492D+01 -0.863100D+01  0.366519D+01
                31            32            33            34            35 
      1   0.863753D+00  0.374649D+01  0.184803D+01  0.349253D+00  0.753703D+01
      2   0.179414D+01  0.706861D+00  0.485894D+01 -0.415145D+01  0.626478D+01
      3  -0.186130D+01  0.699970D+01  0.298432D-01  0.460187D+01 -0.145861D+01
                36            37            38            39            40 
      1   0.550590D+01 -0.224169D+00  0.541095D+00  0.989689D+00  0.124817D+01
      2   0.841626D+01  0.141922D+02 -0.104863D+01  0.138989D+01 -0.681733D+01
      3  -0.597370D+01  0.796943D+01 -0.505027D+01  0.259112D+01 -0.134633D+01
                41            42            43            44            45 
      1  -0.339684D+01 -0.132253D+01 -0.134400D+01  0.642689D+01  0.232751D+01
      2  -0.185298D+01 -0.320050D+01 -0.147887D+01 -0.417724D+01 -0.213352D+01
      3  -0.998067D+01  0.135959D+01  0.542031D+01  0.119162D+01  0.268213D+01
                46            47            48            49            50 
      1  -0.101795D+01 -0.354911D+01 -0.251055D+01 -0.367540D+01  0.851064D+01
      2  -0.895569D+01  0.459511D+01  0.697487D+00  0.617895D+01  0.180902D+01
      3  -0.384869D+01  0.459033D+01 -0.237384D+01  0.112563D+02 -0.276570D+01
                51            52            53            54            55 
      1  -0.849893D+01  0.400471D+00 -0.946665D+00 -0.890646D+01 -0.447455D+01
      2   0.170272D+01 -0.889688D+01  0.468140D+00 -0.231200D+01 -0.286159D+01
      3   0.115031D+01 -0.340618D+01  0.105417D+01  0.862314D+00  0.131705D+01
                56            57            58            59            60 
      1  -0.419440D+01  0.375952D+01 -0.135348D+01  0.199579D+00 -0.722253D+01
      2   0.414519D+01  0.979183D+01  0.443367D+01 -0.347211D+01 -0.398210D+01
      3  -0.892794D+01 -0.947240D+00  0.100649D+01  0.100033D+02  0.329638D+01
                61            62            63            64            65 
      1   0.133608D+01 -0.957006D+00 -0.648487D+00  0.321391D+01  0.119515D+01
      2   0.468650D+01 -0.122338D+01 -0.104348D+02 -0.237524D+01 -0.238725D+01
      3   0.736143D+00  0.859398D+01  0.952787D+00  0.505712D+01 -0.269094D+01
                66            67            68            69            70 
      1  -0.337479D+01  0.141474D+01  0.117825D+01 -0.270053D+01 -0.370516D+01
      2   0.489461D+01 -0.779171D+00 -0.107155D+01  0.191327D+01  0.241429D+01
      3  -0.154779D+01  0.194254D+01  0.544986D+00 -0.661698D-02 -0.359354D+01
                71            72            73            74            75 
      1  -0.576064D+00  0.364904D+01 -0.143386D+01 -0.101819D+01 -0.205133D+01
      2   0.250213D+01 -0.481674D+01  0.117480D+01  0.902163D+00  0.300564D+01
      3   0.138108D+01  0.531319D+00 -0.131687D+01  0.106683D+01  0.698390D+00
                76            77            78            79            80 
      1  -0.587410D+00 -0.161092D+01 -0.392186D+01 -0.301039D+01 -0.422875D+01
      2   0.390614D+00  0.209844D+01  0.301311D+01  0.125033D+01  0.553201D+01
      3   0.270512D+01 -0.222260D+01 -0.183882D+01  0.238148D+01 -0.237117D+01
                81            82            83            84            85 
      1  -0.961250D+01  0.189278D+01  0.991582D+00  0.202486D+01  0.132281D+01
      2   0.933566D+01  0.256193D-01 -0.583923D+00  0.680968D+00 -0.156367D+01
      3  -0.328220D+00 -0.578129D+00 -0.327888D+01 -0.156767D+01 -0.179030D+01
                86            87            88            89            90 
      1   0.329687D+01  0.311236D+01  0.268212D+01  0.437692D+01  0.160399D+02
      2  -0.707328D+00 -0.409355D-01 -0.360933D+01 -0.604971D+00  0.712892D+00
      3  -0.233155D+00 -0.260013D+00 -0.299572D+01 -0.852424D+00 -0.193554D+01
                91            92            93            94            95 
      1  -0.979066D+00  0.285907D+00  0.469389D+00 -0.548042D+00 -0.165854D+01
      2  -0.414256D-01  0.448882D+00  0.111335D+01  0.209076D+01 -0.200694D+01
      3   0.131974D+00  0.921654D+00  0.936524D+00  0.730819D+01 -0.275931D+00
                96            97            98            99           100 
      1  -0.420746D+01  0.341233D+00 -0.100714D+01  0.160236D+01  0.327048D+01
      2  -0.263198D+00 -0.191587D+00 -0.761964D+00 -0.225477D+00  0.630423D+01
      3  -0.297853D+00  0.170450D+01 -0.637853D+00 -0.542638D+00 -0.804178D+01
               101           102           103           104           105 
      1  -0.117032D+01  0.229580D+01 -0.120562D+01  0.956801D+00 -0.199085D+01
      2  -0.207735D+01  0.514193D+01 -0.109352D+01  0.145152D+01 -0.186425D+01
      3  -0.398220D+01 -0.921414D+00  0.104237D+01 -0.226229D+00 -0.603842D+00
               106           107           108           109           110 
      1   0.213675D+01 -0.475195D+00  0.113945D+01  0.456941D-01  0.691246D+00
      2   0.252529D+01 -0.230207D+01  0.180414D+01 -0.795149D+00 -0.636306D+00
      3  -0.271196D+01 -0.184207D+01  0.169293D+00  0.130287D+01  0.106344D+01
               111           112           113           114           115 
      1  -0.832496D+00  0.324083D+00 -0.583351D+00 -0.293252D+01  0.791894D+00
      2  -0.643382D-01 -0.681057D+00 -0.305417D+01 -0.329596D+01 -0.236515D+01
      3   0.692536D+00  0.290442D+01  0.190014D+01  0.254139D+01  0.189984D+01
               116           117           118           119           120 
      1   0.135792D+01 -0.809744D+01  0.942132D+01 -0.765316D-01 -0.283767D+01
      2  -0.428164D+01 -0.114888D+02 -0.353135D+01 -0.911288D+00  0.123223D+02
      3   0.428737D+01  0.332183D+01 -0.112134D+02  0.267513D+00 -0.733071D+01
               121           122           123           124           125 
      1  -0.304152D+01 -0.105428D+02 -0.733795D+01 -0.289392D+01 -0.171941D+01
      2  -0.640775D+00  0.778024D+00  0.405482D+01  0.706785D+01  0.502913D+01
      3   0.710827D+01  0.139070D+02  0.592911D+00 -0.611795D+01 -0.154536D+01
               126           127           128           129           130 
      1   0.365478D+01 -0.295409D+00 -0.201655D+01 -0.117520D+01 -0.147501D+01
      2  -0.205534D+01  0.590148D+00  0.255227D+00  0.323467D+01  0.156322D+01
      3  -0.202894D+01  0.107088D+01 -0.354063D+01 -0.136185D+01  0.503839D+00
               131           132           133           134           135 
      1  -0.658518D+00 -0.139270D+01  0.375016D+00  0.180583D+01  0.756239D+00
      2  -0.278868D+00  0.256542D+01 -0.191329D+01  0.184459D+01 -0.355896D+01
      3  -0.935569D+00  0.153006D+01 -0.318856D+01  0.254196D+01 -0.243164D+00
               136           137           138           139           140 
      1  -0.710347D+00  0.565800D+00  0.144630D+00  0.366684D+00 -0.991850D+01
      2  -0.747475D+00  0.856552D+00  0.137346D+01  0.203711D+01 -0.869398D+00
      3  -0.110665D+01 -0.908290D+00  0.792031D+00  0.527083D+01  0.208053D+01
               141           142           143           144           145 
      1  -0.268578D+01  0.553800D+00 -0.282078D+00 -0.259414D+00  0.135323D+01
      2  -0.298846D+00 -0.525058D+00 -0.277692D+00 -0.150316D+00  0.129342D+01
      3   0.298431D+00  0.712213D+00  0.843449D+00  0.276913D+00  0.101467D+01
               146           147           148           149           150 
      1   0.191903D+00  0.243497D+01 -0.416317D+00  0.128158D+01  0.387488D+01
      2  -0.520762D+00 -0.109100D+01 -0.179902D+01 -0.142735D-01 -0.394388D+00
      3  -0.172031D+01 -0.167265D+01 -0.184216D+00 -0.198044D+00 -0.946262D+00
               151           152           153           154           155 
      1   0.693951D+00  0.434294D+01  0.124596D+02 -0.431964D+01 -0.315203D+01
      2  -0.330459D+01  0.307010D+00 -0.625940D-01  0.823543D+01  0.168429D+01
      3  -0.136782D+01 -0.452766D+00 -0.217296D+01 -0.216252D+01 -0.724629D+00
               156           157           158           159           160 
      1   0.417086D+01 -0.176360D+01 -0.236164D+01  0.159636D+01  0.364096D+01
      2  -0.588442D+01  0.210831D+01  0.228591D+01 -0.171382D+01 -0.801931D+01
      3   0.242788D+01  0.466770D+00 -0.855456D+00 -0.761408D+00  0.214552D+01
               161           162           163           164           165 
      1   0.423821D+01 -0.699286D+01 -0.560839D+01  0.255796D+01 -0.284472D+01
      2  -0.164625D+01  0.938990D+01 -0.290264D+01  0.107676D+01  0.357879D+01
      3  -0.379021D+00 -0.207350D+01  0.112693D+02 -0.621125D+01  0.407716D+01
               166           167           168           169           170 
      1   0.191812D+01 -0.102927D+01  0.959759D+00 -0.241060D+01  0.197807D+01
      2   0.692967D+00 -0.142265D+00 -0.176109D+01 -0.152217D+01 -0.699195D+00
      3  -0.341987D+01  0.202178D+01 -0.132798D+01  0.349388D+01 -0.122233D+01
               171           172           173           174           175 
      1  -0.266087D+01 -0.177348D+00  0.276768D+00  0.387761D+00  0.630819D+00
      2   0.216251D+01  0.799875D+00 -0.624849D+00 -0.106798D+00 -0.937409D+00
      3   0.308598D+01 -0.583046D+00 -0.107596D-03  0.773185D+00  0.264043D+01
               176           177           178           179           180 
      1   0.950465D+01 -0.422901D+01  0.567892D+00 -0.173318D+00  0.864324D+00
      2   0.135745D+01  0.232357D+01 -0.128106D+01  0.111839D+01  0.690305D-01
      3  -0.165490D+02 -0.114136D+01  0.560537D-01  0.471397D+00 -0.178866D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.228498D+02  0.131760D+02 -0.175244D+01  0.216156D+02 -0.817769D+01
      2   0.845900D+01 -0.376184D+01 -0.332394D+01 -0.150616D+02  0.196069D+01
      3   0.143908D+02 -0.941414D+01  0.507638D+01 -0.655403D+01  0.621701D+01
      4   0.252796D+02 -0.120217D+02 -0.860884D+01 -0.161190D+02  0.726480D+00
      5   0.906522D+01 -0.600484D+01 -0.377195D+01 -0.924205D+01  0.523384D+01
      6  -0.445402D+01  0.755093D+01  0.260602D+01  0.621746D+00 -0.447508D+01
                 6             7             8             9            10 
      1  -0.867226D+01  0.146000D+02 -0.960921D+01 -0.240324D+01 -0.801119D+00
      2   0.462288D+01 -0.678353D+01  0.167450D+01 -0.323900D+01 -0.251348D+01
      3   0.404939D+01 -0.781646D+01  0.793471D+01  0.564224D+01  0.331460D+01
      4   0.362499D+01 -0.132909D+02  0.116619D+02  0.100499D+02 -0.115541D+02
      5   0.850765D+01  0.244961D+01  0.531327D+01  0.125114D+02  0.109541D+02
      6  -0.730341D+01  0.394235D+01 -0.219354D+01  0.508488D+00  0.942217D+01
                11            12            13            14            15 
      1  -0.870582D+01  0.948403D+01 -0.676762D+01 -0.257978D+01  0.594534D+01
      2   0.516353D+01 -0.505955D+01  0.396016D+01  0.120292D+02 -0.363560D+01
      3   0.354229D+01 -0.442448D+01  0.280746D+01 -0.944937D+01 -0.230974D+01
      4  -0.910283D+01  0.856744D+01 -0.213908D+01 -0.167936D+01 -0.275435D+01
      5   0.624345D+01 -0.105892D+02  0.450347D+01 -0.205204D+01 -0.880990D+01
      6  -0.157796D+01 -0.756229D+01  0.159162D+01 -0.261804D+01 -0.594728D+01
                16            17            18            19            20 
      1   0.874102D+01  0.900398D+01 -0.140811D+00 -0.453087D+01 -0.154345D+01
      2  -0.436253D+01 -0.487875D+01 -0.149637D+01  0.706358D+01  0.311343D+01
      3  -0.437849D+01 -0.412523D+01  0.163718D+01 -0.253271D+01 -0.156998D+01
      4   0.100424D+02 -0.675168D+01 -0.193518D+02 -0.484184D+01 -0.710471D+00
      5  -0.125696D+02 -0.130674D+02 -0.672895D+01  0.163599D+01 -0.169069D+01
      6  -0.104245D+02 -0.143661D+02 -0.132691D+02 -0.719102D+01  0.134081D+00
                21            22            23            24            25 
      1   0.204216D+01 -0.189180D+01  0.276621D+02 -0.896960D-01  0.286259D+01
      2   0.190090D+00  0.517571D+01 -0.506897D+02  0.538294D+01  0.774171D+00
      3  -0.223226D+01 -0.328392D+01  0.230276D+02 -0.529325D+01 -0.363676D+01
      4  -0.409031D+01  0.509930D+01  0.115278D+02 -0.160465D+01 -0.445362D+01
      5  -0.124194D+01 -0.361605D+00 -0.103127D+01 -0.573090D+00  0.915330D+00
      6   0.499973D+01 -0.224677D+01  0.859265D+01  0.710017D+01  0.402978D+01
                26            27            28            29            30 
      1   0.410349D+00  0.490179D+01 -0.234896D+02  0.142230D+02 -0.978920D+01
      2  -0.231761D+00  0.117071D+02  0.513051D+01 -0.760313D+01  0.649536D+01
      3  -0.178588D+00 -0.166089D+02  0.183591D+02 -0.661988D+01  0.329384D+01
      4   0.138597D+01  0.276469D+01  0.213476D+02 -0.698508D+01  0.577179D+01
      5  -0.556178D+00 -0.481343D+01 -0.967426D+01  0.549118D+00  0.361158D+01
      6   0.710596D+01  0.173531D+02  0.322293D+01  0.726587D+00 -0.273903D+01
                31            32            33            34            35 
      1   0.972243D+01 -0.258350D+01  0.572822D+01 -0.114820D+02  0.644974D+01
      2  -0.498621D+01  0.845285D+01  0.109247D+01  0.590861D+01  0.375194D+01
      3  -0.473622D+01 -0.586935D+01 -0.682069D+01  0.557337D+01 -0.102017D+02
      4  -0.862327D+01 -0.651693D+01  0.945136D+00  0.951489D+01  0.346182D+01
      5   0.198036D+00 -0.222219D+01  0.657493D+01  0.103997D+01  0.937242D+01
      6  -0.772802D+00 -0.264791D+01 -0.942318D+01  0.880103D+00 -0.942903D+01
                36            37            38            39            40 
      1   0.107583D+02 -0.206808D+00 -0.905482D+01  0.146060D+02 -0.551736D+01
      2   0.265653D+00  0.252878D+01  0.547632D+01 -0.102154D+02  0.386681D+01
      3  -0.110240D+02 -0.232197D+01  0.357851D+01 -0.439056D+01  0.165055D+01
      4   0.104739D+02 -0.739907D+01 -0.553917D+01  0.632126D+01 -0.744905D+01
      5   0.126368D+02  0.189569D+02  0.584820D+01 -0.147411D+02  0.243207D+01
      6  -0.203451D+02  0.889571D+01 -0.146011D-02 -0.586926D+01  0.321702D+01
                41            42            43            44            45 
      1  -0.545294D+01 -0.125703D+01  0.113738D+02  0.218589D+01 -0.107736D+02
      2   0.777153D+01 -0.549452D+00 -0.898440D+01 -0.582277D+01  0.343275D+01
      3  -0.231859D+01  0.180648D+01 -0.238940D+01  0.363688D+01  0.734088D+01
      4   0.536460D+01  0.196811D+01  0.478777D+01 -0.220592D+01 -0.164211D+02
      5   0.439576D+01 -0.101543D+02 -0.157910D+02 -0.134178D+02  0.513309D+01
      6   0.311257D+00 -0.667795D+01 -0.916499D+01 -0.541052D+01  0.245323D+01
                46            47            48            49            50 
      1   0.164239D+01 -0.514240D+01  0.236884D+01 -0.248377D+01  0.144213D+02
      2  -0.151680D+01  0.699329D+01  0.365669D+01  0.398080D+01 -0.264048D+02
      3  -0.125583D+00 -0.185088D+01 -0.602554D+01 -0.149703D+01  0.119835D+02
      4  -0.603154D+01  0.385467D+00 -0.204784D+00  0.312211D+01  0.862003D+01
      5  -0.477270D+01 -0.548499D+00  0.279625D+01 -0.449867D+00 -0.263977D+01
      6  -0.514492D+01 -0.426726D+01  0.276076D+01 -0.273359D+01  0.981639D+01
                51            52            53            54            55 
      1   0.638216D+01 -0.289797D+01  0.482591D+01  0.168858D+02  0.606147D+02
      2   0.702546D+01  0.183916D+01  0.178438D+01  0.130779D+02 -0.278160D+02
      3  -0.134076D+02  0.105881D+01 -0.661029D+01 -0.299637D+02 -0.327988D+02
      4  -0.445973D+00  0.217209D+00 -0.388243D+00 -0.275898D+00 -0.360031D+02
      5   0.384915D+00  0.403708D+01 -0.432678D+00 -0.699718D+01 -0.135718D+02
      6   0.487220D+01  0.527926D+00  0.467961D+01  0.325361D+01  0.553569D+01
                56            57            58            59            60 
      1  -0.171774D+02 -0.827038D+01 -0.201337D+02  0.901087D+01  0.239353D+01
      2   0.431325D+01  0.690535D+01  0.609359D+01  0.456180D+01 -0.308626D+00
      3   0.128642D+02  0.136503D+01  0.140401D+02 -0.135727D+02 -0.208490D+01
      4   0.268103D+02  0.779597D+01  0.309244D+02 -0.248040D+02 -0.820273D+01
      5   0.572451D+01  0.162263D+02  0.810128D+01 -0.684563D+01 -0.100874D+02
      6  -0.364983D+01 -0.626357D+01 -0.423663D+01  0.823241D+01  0.109909D+02
                61            62            63            64            65 
      1  -0.130891D+02  0.413807D+01  0.522961D+01  0.210530D+02  0.599065D+01
      2   0.978220D+01 -0.618655D+00 -0.831551D+01 -0.885036D+01  0.641891D-02
      3   0.330691D+01 -0.351942D+01  0.308590D+01 -0.122026D+02 -0.599707D+01
      4   0.131534D+02 -0.992702D+01 -0.132120D+02  0.234779D+02  0.155447D+02
      5   0.201318D+02 -0.116038D+02 -0.188317D+02 -0.138953D+02 -0.584589D+01
      6  -0.843413D+01  0.121264D+02  0.753341D+01 -0.776568D+01 -0.415256D+01
                66            67            68            69            70 
      1  -0.721400D+01  0.120928D+01  0.210073D+00  0.596989D+00 -0.818333D+01
      2   0.421337D+01  0.396207D+01  0.441099D+01 -0.279191D+01  0.520301D+01
      3   0.300062D+01 -0.517134D+01 -0.462106D+01  0.219492D+01  0.298032D+01
      4  -0.970030D+01  0.125828D+02  0.109215D+02 -0.534291D+01 -0.134789D+02
      5   0.109886D+02 -0.307757D+01 -0.454528D+01  0.362877D+01  0.131625D+02
      6   0.638508D+01 -0.386736D+01 -0.514022D+01  0.611486D+01  0.822497D+01
                71            72            73            74            75 
      1  -0.117543D+01  0.189876D+01  0.120295D+01  0.330442D+01  0.198921D+01
      2  -0.134856D+01 -0.373174D+01  0.202124D+00 -0.102466D+01 -0.182572D+01
      3   0.252399D+01  0.183298D+01 -0.140508D+01 -0.227976D+01 -0.163484D+00
      4  -0.891937D+01  0.112936D+02  0.758914D+01  0.781139D+01  0.538752D+01
      5   0.777307D+01 -0.121058D+02  0.530654D+01  0.291703D+01  0.745123D+01
      6   0.787947D+01 -0.810754D+01  0.431843D+01  0.294857D+01  0.384008D+01
                76            77            78            79            80 
      1   0.144544D+01 -0.646925D+01 -0.447941D+01  0.256996D+01 -0.697631D+01
      2   0.734663D+00  0.825776D+01  0.496605D+01 -0.230460D+01  0.626341D+01
      3  -0.218010D+01 -0.178852D+01 -0.486639D+00 -0.265354D+00  0.712903D+00
      4   0.689604D+01  0.952553D+01  0.754327D+01  0.825223D+01  0.136264D+02
      5   0.194362D+01  0.613741D+01  0.586281D+01  0.973262D+01  0.103011D+02
      6   0.349259D+01  0.101446D+02  0.114481D+02  0.765925D+01  0.155360D+02
                81            82            83            84            85 
      1  -0.701076D+01  0.158851D+01  0.452793D+00 -0.217830D+00  0.147131D+00
      2  -0.150848D+01 -0.483008D+01 -0.104603D+01 -0.106923D+01 -0.154642D+01
      3   0.851923D+01  0.324157D+01  0.593241D+00  0.128706D+01  0.139929D+01
      4   0.143455D+02 -0.708301D+00  0.205560D+01 -0.186688D+01 -0.284992D+00
      5   0.182469D+02  0.231103D+01  0.526284D+00  0.741047D+01  0.620016D+00
      6   0.220852D+02 -0.157880D+01  0.115712D+01 -0.282226D+01  0.736000D+00
                86            87            88            89            90 
      1  -0.312968D+01  0.154763D+00 -0.143571D+01  0.315551D+01 -0.164009D+02
      2   0.281801D+01 -0.495836D+01 -0.251624D+01 -0.439176D+01 -0.141197D+02
      3   0.311663D+00  0.480359D+01  0.395194D+01  0.123625D+01  0.305205D+02
      4  -0.653138D+00  0.114608D+01 -0.359862D+01  0.174545D+01 -0.189108D+01
      5   0.112775D+01  0.888425D+00  0.516005D+01  0.276751D-01  0.749856D+01
      6  -0.224182D+01  0.391775D+00 -0.306651D+01  0.577641D+01 -0.227774D+02
                91            92            93            94            95 
      1  -0.220010D+01  0.127291D+01 -0.338069D+00  0.294170D+01 -0.431344D+02
      2   0.681808D+01 -0.375565D+01  0.116023D+00 -0.561761D+01  0.766554D+02
      3  -0.461798D+01  0.248275D+01  0.222046D+00  0.267590D+01 -0.335211D+02
      4  -0.206958D+01  0.111419D+02 -0.531730D+00  0.926840D+01 -0.119816D+02
      5   0.107609D+00 -0.169649D+01  0.175838D+01 -0.134561D+01  0.235728D+01
      6  -0.162579D+00  0.472146D+00 -0.846092D+00  0.124617D+01 -0.137619D+02
                96            97            98            99           100 
      1   0.462092D+01 -0.270694D+00  0.582346D+00 -0.542196D+01  0.452727D+02
      2  -0.620882D+01 -0.386185D+00  0.801646D+00  0.535408D+01 -0.186803D+02
      3   0.158790D+01  0.656879D+00 -0.138399D+01  0.678783D-01 -0.265925D+02
      4   0.108525D+01  0.655349D+00 -0.161572D+00 -0.140230D+01 -0.317223D+02
      5  -0.876173D+00  0.104501D+01 -0.789197D+00  0.635078D+00  0.343377D+01
      6   0.858879D+01 -0.144332D+01  0.974286D+01 -0.303928D+01 -0.710914D+00
               101           102           103           104           105 
      1  -0.107090D+02  0.548738D+01 -0.638815D+01  0.513901D+01 -0.835872D+00
      2   0.912643D+00 -0.224100D+01 -0.170480D+01  0.168517D+01 -0.101212D+01
      3   0.979640D+01 -0.324638D+01  0.809296D+01 -0.682418D+01  0.184799D+01
      4   0.173191D+02 -0.355539D+01  0.162896D+02 -0.103118D+02  0.216211D+01
      5  -0.473212D+00  0.681347D+01 -0.504460D+00  0.157143D+01 -0.222257D+01
      6  -0.228532D+00 -0.273977D+01  0.151369D+00 -0.854484D+00  0.332598D+01
               106           107           108           109           110 
      1   0.921270D+01 -0.256045D+01  0.347290D+01  0.139444D+01 -0.384321D+01
      2  -0.382647D+01 -0.121959D+01 -0.244767D+01 -0.140650D+01  0.230004D+01
      3  -0.538623D+01  0.378004D+01 -0.102523D+01  0.120640D-01  0.154317D+01
      4  -0.837595D+01  0.456882D+01 -0.548747D+01 -0.337518D+01  0.289033D+01
      5   0.846922D+01 -0.384673D+01  0.311022D+01 -0.160939D+01  0.169382D+01
      6  -0.350970D+01  0.363414D+01 -0.532114D+00  0.271239D+01  0.545937D+00
               111           112           113           114           115 
      1  -0.245432D+01 -0.194108D+01 -0.715820D+01 -0.632048D+01 -0.153368D+01
      2   0.117185D+01  0.102538D+01  0.535424D+01  0.354031D+01  0.202077D+01
      3   0.128247D+01  0.915701D+00  0.180396D+01  0.278017D+01 -0.487094D+00
      4   0.226155D+01  0.444605D+01 -0.442766D+01 -0.585607D+01  0.412003D+01
      5   0.425201D+01  0.223175D+01 -0.475062D+01 -0.549562D+01  0.694507D+01
      6   0.195994D+01 -0.153090D+01  0.106173D+02  0.140022D+02 -0.340460D+01
               116           117           118           119           120 
      1  -0.801410D+01 -0.155217D+02 -0.231090D+02  0.813472D+01 -0.232519D+02
      2   0.213161D+01 -0.818143D+01  0.233484D+02 -0.416369D+01  0.684762D+01
      3   0.588249D+01  0.237032D+02 -0.239371D+00 -0.397103D+01  0.164043D+02
      4  -0.845365D+01 -0.103559D+02  0.866430D+00  0.511171D+01 -0.506335D+01
      5  -0.858401D+01 -0.200305D+02 -0.210741D+02  0.442535D+01 -0.381010D+01
      6   0.144742D+02  0.260707D+02 -0.283709D+01  0.338817D+00  0.537579D+01
               121           122           123           124           125 
      1   0.135433D+02  0.144520D+02  0.126363D+01 -0.203620D+02 -0.185007D+01
      2  -0.103975D+02 -0.335518D+02 -0.631518D+01  0.738943D+01 -0.132038D+01
      3  -0.314585D+01  0.190997D+02  0.505155D+01  0.129726D+02  0.317044D+01
      4   0.374538D+01 -0.225670D+02  0.120822D+01 -0.422559D+01  0.470360D+01
      5   0.755856D+01  0.766358D+00  0.696430D+01 -0.210149D+01  0.851807D+01
      6   0.164243D+00 -0.798965D+01  0.709517D+01  0.673563D+01  0.683500D+01
               126           127           128           129           130 
      1   0.323744D+01  0.209001D+02  0.600724D+01 -0.107087D+02  0.465000D+01
      2   0.435372D+01 -0.148081D+02 -0.360856D+01  0.981287D+01 -0.132121D+01
      3  -0.759116D+01 -0.609199D+01 -0.239867D+01  0.895860D+00 -0.332879D+01
      4   0.134669D+02  0.151149D+02  0.103744D+02 -0.799806D+01  0.116207D+02
      5   0.481564D+01 -0.220714D+02 -0.664625D+01  0.188816D+02 -0.637024D+01
      6   0.413294D+01 -0.777562D+01 -0.416263D+01  0.721393D+01 -0.529871D+01
               131           132           133           134           135 
      1   0.223271D+01 -0.997811D+00 -0.887154D+01 -0.131764D+01  0.465293D+01
      2   0.520320D-01  0.378448D+00  0.104467D+02  0.275606D+01 -0.121491D+02
      3  -0.228475D+01  0.619363D+00 -0.157513D+01 -0.143842D+01  0.749615D+01
      4   0.806336D+01 -0.677270D+01 -0.892460D+01 -0.630256D+01  0.976354D+01
      5  -0.754486D+01  0.731701D+01  0.201986D+02  0.853665D+01 -0.221917D+02
      6  -0.599955D+01  0.834108D+01  0.756481D+01  0.711594D+01 -0.104826D+02
               136           137           138           139           140 
      1  -0.312115D+00  0.180017D+01 -0.877439D+00  0.128471D+01 -0.259533D+02
      2   0.411311D+01 -0.404318D+01  0.462181D+00 -0.268147D+01  0.421080D+02
      3  -0.380100D+01  0.224300D+01  0.415258D+00  0.139676D+01 -0.161547D+02
      4  -0.223242D+01  0.955331D+01 -0.133661D+01  0.682145D+01 -0.730272D+01
      5   0.803758D+00 -0.326345D+01  0.218331D+01 -0.240945D+01  0.306403D+01
      6  -0.184139D+01  0.226358D+01 -0.105870D+01  0.272924D+01 -0.184642D+02
               141           142           143           144           145 
      1   0.523994D+01 -0.512624D+00  0.501285D+00 -0.506984D+01 -0.622744D+00
      2  -0.471668D+01 -0.380157D+00  0.200428D+01  0.230955D+01 -0.447495D+01
      3  -0.523257D+00  0.892781D+00 -0.250557D+01  0.276029D+01  0.509769D+01
      4   0.172259D+01  0.842045D-01 -0.956681D+00 -0.735408D+00  0.104564D+01
      5  -0.136450D+01  0.776364D+00 -0.492765D+00  0.841298D+00  0.293000D+01
      6   0.921185D+01 -0.799049D+00  0.708783D+01 -0.299777D+01 -0.469464D+00
               146           147           148           149           150 
      1   0.876149D+00 -0.178747D+01  0.133188D+01 -0.400575D+01 -0.454757D+01
      2  -0.357194D+00 -0.269071D+01 -0.800483D+00 -0.492289D-01 -0.581926D+01
      3  -0.518955D+00  0.447818D+01 -0.531397D+00  0.405498D+01  0.103668D+02
      4   0.128183D+01 -0.190730D+01 -0.348069D+00 -0.831856D-01  0.716212D+00
      5   0.430621D+00  0.874722D+01  0.148160D+01  0.945337D+00  0.210391D+01
      6   0.124412D+01 -0.189542D+01  0.831817D+00  0.410968D-01  0.389082D+01
               151           152           153           154           155 
      1   0.300262D+00  0.568598D+00 -0.274046D+02 -0.341799D+01 -0.499221D+00
      2  -0.245019D+01 -0.291366D+01 -0.217279D+02 -0.365631D+01 -0.133904D+01
      3   0.214993D+01  0.234506D+01  0.491325D+02  0.707430D+01  0.183826D+01
      4  -0.247513D+01  0.683493D+00 -0.149544D+01 -0.628654D+01 -0.247393D+01
      5   0.609306D+01  0.150190D+00  0.868576D+01 -0.247271D+01 -0.167278D+01
      6  -0.103570D+01  0.563274D+01 -0.123799D+02  0.152198D+01 -0.320275D+01
               156           157           158           159           160 
      1   0.107901D+02 -0.271377D+01 -0.447253D+01  0.765402D+00  0.967726D+01
      2   0.186857D+01  0.110662D+01  0.376185D+01  0.313938D+01  0.830095D+00
      3  -0.126587D+02  0.160715D+01  0.710679D+00 -0.390478D+01 -0.105074D+02
      4   0.328126D+01 -0.123670D+01  0.420409D+00  0.999788D+00  0.497339D+01
      5   0.491959D+00 -0.188455D+01 -0.276971D+00 -0.213102D+01  0.413671D+01
      6  -0.590338D+01 -0.150842D+01  0.551879D+00  0.132963D+01 -0.212158D+01
               161           162           163           164           165 
      1   0.441446D+00 -0.146912D+02  0.473057D+02 -0.420189D+01  0.139775D+02
      2   0.238393D+01 -0.875813D+01 -0.312275D+02  0.475003D+01 -0.125565D+02
      3  -0.282537D+01  0.234494D+02 -0.160782D+02 -0.548141D+00 -0.142100D+01
      4   0.235394D+01 -0.458531D+01  0.114514D+02  0.766169D+01  0.510712D+01
      5   0.185979D+00  0.392661D+01  0.286342D+02 -0.977959D+00  0.179403D+02
      6   0.364496D+01  0.794329D+01  0.303788D+01  0.389736D+01  0.308718D+01
               166           167           168           169           170 
      1  -0.105677D+02  0.378740D+01 -0.298244D+01  0.102509D+02 -0.209518D+00
      2   0.828012D+01 -0.324510D+00  0.408831D+01 -0.102003D+02  0.130331D+01
      3   0.228759D+01 -0.346289D+01 -0.110587D+01 -0.505652D-01 -0.109379D+01
      4   0.460889D+01 -0.297372D-01  0.154877D+01  0.347800D+01  0.133178D+01
      5  -0.647663D+01  0.325088D+01 -0.515692D+01  0.157930D+02 -0.167525D+01
      6   0.228243D+01 -0.393968D+00  0.576923D+00  0.206577D+01  0.154034D+01
               171           172           173           174           175 
      1   0.629059D+01  0.221074D+01  0.355915D+01  0.272974D+01  0.155354D+01
      2  -0.997587D+01  0.129422D+01 -0.128591D+01 -0.116445D+01  0.385119D+01
      3   0.368528D+01 -0.350496D+01 -0.227324D+01 -0.156529D+01 -0.540473D+01
      4   0.108943D+01  0.449136D+01  0.765194D+01  0.799179D+00  0.120088D+02
      5   0.117504D+02  0.261249D+01  0.891219D+00  0.160801D+01  0.305164D+01
      6   0.194566D+01  0.126431D+01 -0.362445D-01 -0.528720D+00  0.274083D+01
               176           177           178           179           180 
      1  -0.229723D+02 -0.319468D+01  0.643587D+00 -0.836761D+00 -0.382704D+01
      2   0.494878D+02  0.265248D+01 -0.406080D+00 -0.239555D+01  0.381259D+01
      3  -0.265156D+02  0.542200D+00 -0.237507D+00  0.323231D+01  0.144512D-01
      4   0.336272D+02  0.391879D+01 -0.455594D+00 -0.145647D+01  0.196627D+01
      5   0.305853D+01  0.463881D+01  0.160982D+01  0.272722D+01 -0.482609D+00
      6   0.167087D+02  0.907775D+01  0.213409D+00  0.734778D+01  0.108057D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:26:35 2021, MaxMem=  5637144576 cpu:            7213.1 elap:             907.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13213 -10.27391 -10.20338 -10.19696 -10.19420
 Alpha  occ. eigenvalues --  -10.19229 -10.19205 -10.18242  -1.03545  -0.84237
 Alpha  occ. eigenvalues --   -0.77097  -0.73148  -0.69029  -0.62200  -0.57874
 Alpha  occ. eigenvalues --   -0.52942  -0.48523  -0.46614  -0.46271  -0.45624
 Alpha  occ. eigenvalues --   -0.43281  -0.42356  -0.40852  -0.39156  -0.37568
 Alpha  occ. eigenvalues --   -0.36771  -0.35849  -0.33462  -0.33178  -0.32928
 Alpha  occ. eigenvalues --   -0.24883
 Alpha virt. eigenvalues --   -0.02932   0.01404   0.03173   0.03679   0.04315
 Alpha virt. eigenvalues --    0.05991   0.06997   0.07337   0.08544   0.08802
 Alpha virt. eigenvalues --    0.09764   0.10918   0.11679   0.11985   0.12591
 Alpha virt. eigenvalues --    0.13737   0.13918   0.15150   0.16412   0.16708
 Alpha virt. eigenvalues --    0.17422   0.18643   0.18741   0.19543   0.19842
 Alpha virt. eigenvalues --    0.20257   0.21798   0.22451   0.23896   0.24759
 Alpha virt. eigenvalues --    0.26274   0.27530   0.27889   0.28464   0.29436
 Alpha virt. eigenvalues --    0.29821   0.30327   0.30460   0.31368   0.31878
 Alpha virt. eigenvalues --    0.32644   0.33465   0.33665   0.33905   0.34956
 Alpha virt. eigenvalues --    0.35546   0.36010   0.36553   0.36764   0.37046
 Alpha virt. eigenvalues --    0.37428   0.37906   0.38067   0.38538   0.38732
 Alpha virt. eigenvalues --    0.39612   0.40575   0.41088   0.43180   0.44137
 Alpha virt. eigenvalues --    0.44805   0.45375   0.45710   0.46221   0.46406
 Alpha virt. eigenvalues --    0.46850   0.47091   0.48301   0.49209   0.49917
 Alpha virt. eigenvalues --    0.50429   0.51121   0.51751   0.52377   0.53009
 Alpha virt. eigenvalues --    0.53672   0.53905   0.54181   0.54940   0.56624
 Alpha virt. eigenvalues --    0.56793   0.57971   0.58540   0.58728   0.59347
 Alpha virt. eigenvalues --    0.59955   0.61352   0.62095   0.62158   0.62740
 Alpha virt. eigenvalues --    0.62898   0.64184   0.64833   0.65385   0.66926
 Alpha virt. eigenvalues --    0.67874   0.69014   0.70212   0.70798   0.72590
 Alpha virt. eigenvalues --    0.73252   0.75491   0.77017   0.77925   0.80980
 Alpha virt. eigenvalues --    0.81507   0.84078   0.87880   0.89517   0.89851
 Alpha virt. eigenvalues --    0.91476   0.94165   0.94961   0.96217   0.97160
 Alpha virt. eigenvalues --    0.98357   0.99944   1.01558   1.02090   1.02721
 Alpha virt. eigenvalues --    1.03020   1.03784   1.04236   1.05064   1.07432
 Alpha virt. eigenvalues --    1.08102   1.09540   1.10784   1.12223   1.12975
 Alpha virt. eigenvalues --    1.15101   1.18052   1.19553   1.22915   1.24357
 Alpha virt. eigenvalues --    1.27025   1.28871   1.31648   1.33007   1.36940
 Alpha virt. eigenvalues --    1.39108   1.39651   1.42094   1.45430   1.46114
 Alpha virt. eigenvalues --    1.49040   1.51012   1.56327   1.61835   1.63918
 Alpha virt. eigenvalues --    1.65309   1.66340   1.67655   1.71511   1.74564
 Alpha virt. eigenvalues --    1.74651   1.76478   1.78429   1.81124   1.81600
 Alpha virt. eigenvalues --    1.83704   1.85552   1.86077   1.87174   1.88385
 Alpha virt. eigenvalues --    1.90115   1.92888   1.93309   1.94153   1.96897
 Alpha virt. eigenvalues --    1.97761   1.98203   2.00554   2.02141   2.03234
 Alpha virt. eigenvalues --    2.04598   2.05475   2.08120   2.09679   2.10384
 Alpha virt. eigenvalues --    2.12063   2.14357   2.16833   2.17830   2.19005
 Alpha virt. eigenvalues --    2.21605   2.24269   2.27878   2.33112   2.34248
 Alpha virt. eigenvalues --    2.36219   2.38698   2.43484   2.44837   2.46676
 Alpha virt. eigenvalues --    2.50405   2.50937   2.54365   2.55653   2.58189
 Alpha virt. eigenvalues --    2.60172   2.62282   2.63301   2.64189   2.66635
 Alpha virt. eigenvalues --    2.68280   2.70915   2.72329   2.75391   2.79987
 Alpha virt. eigenvalues --    2.87556   2.88634   2.92217   2.96739   2.99826
 Alpha virt. eigenvalues --    3.04812   3.07523   3.11275   3.13356   3.15159
 Alpha virt. eigenvalues --    3.16400   3.17309   3.18677   3.21762   3.22925
 Alpha virt. eigenvalues --    3.27129   3.45602   3.83230
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.294725   0.277319   0.019121  -0.104115  -0.011067   0.130390
     2  C    0.277319   4.719685   0.338997   0.018452  -0.015447  -0.150320
     3  C    0.019121   0.338997   4.370874   0.323242   0.007829  -0.085947
     4  C   -0.104115   0.018452   0.323242   4.426889   0.293576   0.012926
     5  C   -0.011067  -0.015447   0.007829   0.293576   5.318657   0.242814
     6  C    0.130390  -0.150320  -0.085947   0.012926   0.242814   4.828891
     7  O    0.137366  -0.032699   0.006830   0.004617   0.009884  -0.010832
     8  H    0.215667   0.166741   0.010878   0.012709   0.010047   0.020921
     9  H    0.035271   0.223111   0.074058  -0.033600  -0.032938  -0.047473
    10  H   -0.017225   0.087842   0.274166   0.005306  -0.012815  -0.029551
    11  H    0.019850   0.014979   0.210359   0.078706   0.000650   0.015068
    12  H    0.004183   0.022549  -0.003899   0.132942   0.103062   0.035214
    13  H   -0.045151  -0.059734   0.085150   0.308571   0.050910  -0.048382
    14  C   -0.027012  -0.033806   0.010750  -0.014945   0.373165   0.029965
    15  H    0.021969   0.008260   0.004907  -0.045147   0.239923  -0.073629
    16  H    0.231697   0.014837   0.012209   0.012848   0.097504   0.061935
    17  H   -0.008515  -0.041919  -0.034505  -0.041844   0.071107   0.293130
    18  H    0.015020   0.001069   0.012335  -0.040105   0.165254  -0.034777
    19  H   -0.004490  -0.001795  -0.019965  -0.026678   0.133067   0.011715
    20  H   -0.010427  -0.003953   0.000860   0.005140   0.145459  -0.042846
               7          8          9         10         11         12
     1  C    0.137366   0.215667   0.035271  -0.017225   0.019850   0.004183
     2  C   -0.032699   0.166741   0.223111   0.087842   0.014979   0.022549
     3  C    0.006830   0.010878   0.074058   0.274166   0.210359  -0.003899
     4  C    0.004617   0.012709  -0.033600   0.005306   0.078706   0.132942
     5  C    0.009884   0.010047  -0.032938  -0.012815   0.000650   0.103062
     6  C   -0.010832   0.020921  -0.047473  -0.029551   0.015068   0.035214
     7  O    8.304460  -0.069487   0.009750  -0.005677   0.001115  -0.000383
     8  H   -0.069487   1.104099  -0.144277  -0.052529   0.034454  -0.000887
     9  H    0.009750  -0.144277   0.872301   0.005502  -0.027911   0.001357
    10  H   -0.005677  -0.052529   0.005502   0.963613  -0.199180  -0.010525
    11  H    0.001115   0.034454  -0.027911  -0.199180   1.149557  -0.005551
    12  H   -0.000383  -0.000887   0.001357  -0.010525  -0.005551   1.263343
    13  H    0.003251  -0.000217  -0.010792  -0.001365   0.006400  -0.304645
    14  C   -0.005102   0.001376  -0.000392  -0.005341   0.006266  -0.036812
    15  H    0.000055  -0.000988   0.006209  -0.003282  -0.002894   0.042646
    16  H   -0.080185   0.001008  -0.005172   0.000111  -0.000563  -0.001685
    17  H    0.006712  -0.005972   0.003841   0.003198  -0.000318  -0.002512
    18  H    0.013609   0.000082  -0.003800   0.010714   0.002454  -0.012322
    19  H    0.002817   0.000242   0.000275  -0.017485   0.002310   0.011492
    20  H   -0.009088  -0.000102   0.000509   0.002557   0.000050   0.004308
              13         14         15         16         17         18
     1  C   -0.045151  -0.027012   0.021969   0.231697  -0.008515   0.015020
     2  C   -0.059734  -0.033806   0.008260   0.014837  -0.041919   0.001069
     3  C    0.085150   0.010750   0.004907   0.012209  -0.034505   0.012335
     4  C    0.308571  -0.014945  -0.045147   0.012848  -0.041844  -0.040105
     5  C    0.050910   0.373165   0.239923   0.097504   0.071107   0.165254
     6  C   -0.048382   0.029965  -0.073629   0.061935   0.293130  -0.034777
     7  O    0.003251  -0.005102   0.000055  -0.080185   0.006712   0.013609
     8  H   -0.000217   0.001376  -0.000988   0.001008  -0.005972   0.000082
     9  H   -0.010792  -0.000392   0.006209  -0.005172   0.003841  -0.003800
    10  H   -0.001365  -0.005341  -0.003282   0.000111   0.003198   0.010714
    11  H    0.006400   0.006266  -0.002894  -0.000563  -0.000318   0.002454
    12  H   -0.304645  -0.036812   0.042646  -0.001685  -0.002512  -0.012322
    13  H    1.085681   0.022842  -0.090621  -0.002649   0.019977   0.001788
    14  C    0.022842   4.038273  -0.066938  -0.041844   0.024978   0.164083
    15  H   -0.090621  -0.066938   1.544195   0.038295  -0.070384  -0.001414
    16  H   -0.002649  -0.041844   0.038295   1.180511  -0.219657  -0.027004
    17  H    0.019977   0.024978  -0.070384  -0.219657   1.024798  -0.000548
    18  H    0.001788   0.164083  -0.001414  -0.027004  -0.000548   0.818973
    19  H    0.002471   0.183750  -0.005941   0.000210  -0.004185  -0.005567
    20  H   -0.004236   0.207799  -0.006142   0.005408   0.003086   0.011676
              19         20
     1  C   -0.004490  -0.010427
     2  C   -0.001795  -0.003953
     3  C   -0.019965   0.000860
     4  C   -0.026678   0.005140
     5  C    0.133067   0.145459
     6  C    0.011715  -0.042846
     7  O    0.002817  -0.009088
     8  H    0.000242  -0.000102
     9  H    0.000275   0.000509
    10  H   -0.017485   0.002557
    11  H    0.002310   0.000050
    12  H    0.011492   0.004308
    13  H    0.002471  -0.004236
    14  C    0.183750   0.207799
    15  H   -0.005941  -0.006142
    16  H    0.000210   0.005408
    17  H   -0.004185   0.003086
    18  H   -0.005567   0.011676
    19  H    0.956489  -0.150372
    20  H   -0.150372   0.904107
 Mulliken charges:
               1
     1  C   -0.174574
     2  C    0.445833
     3  C    0.381750
     4  C    0.670510
     5  C   -1.190640
     6  C    0.840786
     7  O   -0.287014
     8  H   -0.303765
     9  H    0.074172
    10  H    0.001967
    11  H   -0.305802
    12  H   -0.241874
    13  H   -0.019251
    14  C    1.168943
    15  H   -0.539081
    16  H   -0.277816
    17  H   -0.020469
    18  H   -0.091520
    19  H   -0.068362
    20  H   -0.063795
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.174574
     2  C    0.216239
     3  C    0.077915
     4  C    0.409386
     5  C   -1.729721
     6  C    0.542502
     7  O   -0.287014
    14  C    0.945267
 Electronic spatial extent (au):  <R**2>=            946.1717
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.7039    Y=              1.7154    Z=              1.2803  Tot=              3.4486
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -57.5444   YY=            -50.8983   ZZ=            -49.8682
   XY=              4.6435   XZ=              2.4437   YZ=             -1.2819
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -4.7741   YY=              1.8720   ZZ=              2.9021
   XY=              4.6435   XZ=              2.4437   YZ=             -1.2819
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -13.9469  YYY=             -0.4886  ZZZ=              1.1248  XYY=             -1.6859
  XXY=              9.6906  XXZ=              4.8711  XZZ=              2.4937  YZZ=              0.2327
  YYZ=              1.4080  XYZ=             -1.7534
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -649.4668 YYYY=           -456.0563 ZZZZ=           -206.2614 XXXY=             16.3104
 XXXZ=             10.4146 YYYX=              2.2824 YYYZ=             -1.3508 ZZZX=             -3.0106
 ZZZY=              0.5623 XXYY=           -189.1963 XXZZ=           -138.2541 YYZZ=           -114.0202
 XXYZ=             -6.9423 YYXZ=              0.3879 ZZXY=             -0.1395
 N-N= 3.940919510791D+02 E-N=-1.597068716253D+03  KE= 3.450380691404D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:26:37 2021, MaxMem=  5637144576 cpu:               5.3 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.02318643D+00 6.47982688D-01 4.83613985D-01
 Polarizability= 8.63494021D+01-1.04942373D+00 8.45156964D+01
                -1.93893247D+00 2.93358883D-01 7.33527226D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        1.1945    1.1950       -0.7794   -0.7800
 2     -1.1945   -1.1950       -0.2153   -0.2148       -1.2345   -1.2367
 3      0.7794    0.7800        7.1117    7.1138        0.2154    0.2148
 4      0.2153    0.2148        0.0000    0.0000        0.7800    0.7800
 5     -5.8772   -5.8771       -0.7800   -0.7800        1.1952    1.1950
 6     -0.2154   -0.2148       -1.1952   -1.1950        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.5851   -3.5851       -2.3401   -2.3401
 2      0.6443    0.6443       -0.0000    0.0000       -2.3401   -2.3401
 3      0.6443    0.6443       -3.5851   -3.5851       -0.0000    0.0000
 4     -3.5851   -3.5851       -0.6443   -0.6443       -3.7100   -3.7100
 5      2.3401    2.3401       21.3413   21.3413        0.6443    0.6443
 6    -17.6313  -17.6313       -2.3401   -2.3401        3.5851    3.5851
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0359    0.0000       -4.7542   -4.7802        3.0641    3.1202
 2      4.7749    4.7802        0.8190    0.8591        4.9569    4.9467
 3     -3.0888   -3.1202      -28.4111  -28.4551       -0.8845   -0.8591
 4     -0.8612   -0.8591       -0.0231    0.0000       -3.1374   -3.1202
 5     23.5403   23.5084        3.1099    3.1202       -4.7326   -4.7802
 6      0.8800    0.8591        4.8158    4.7802       -0.0123    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0104    0.0000        7.5966    7.5480        8.9923    9.0477
 2     -7.5964   -7.5480       -5.4500   -5.4416       -1.0631   -1.0205
 3     -9.0380   -9.0477        4.4754    4.4798        5.4670    5.4416
 4      5.4846    5.4416       -0.0139    0.0000       -9.0166   -9.0477
 5     -3.4536   -3.4593        9.1383    9.0477        7.4699    7.5480
 6     -5.4796   -5.4416       -7.5450   -7.5480        0.0190    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.3374    4.3847       10.6929   10.8257      -20.2536  -20.3351
 2     12.3278   12.3521       17.6026   17.6971      -20.3136  -20.3351
 3     12.3179   12.3521       10.6755   10.8257      -27.7829  -27.8232
 4     -6.8995   -6.8715       -7.9973   -7.9674        4.9606    4.9482
 5     -7.5030   -7.4881        4.5909    4.6051        7.9326    7.9674
 6     -9.5642   -9.5533        7.4666    7.4881        6.7624    6.8715
 Full mass-weighted force constant matrix:
 Low frequencies ---  -13.1152  -11.0020   -7.4575    0.0002    0.0010    0.0011
 Low frequencies ---   86.3683  126.1967  213.8602
 Diagonal vibrational polarizability:
        7.5773632       4.4543364       9.6209149
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --     86.3617               126.1928               213.8600
 Red. masses --      4.6602                 2.6340                 1.1260
 Frc consts  --      0.0205                 0.0247                 0.0303
 IR Inten    --      3.5816                 0.6269                 0.3389
 RamAct Fr= 1--      0.8302                 0.4410                 0.1323
  Dep-P Fr= 1--      0.7064                 0.6680                 0.4590
  Dep-U Fr= 1--      0.8279                 0.8010                 0.6292
 Alpha2 Fr= 1--      0.0006                 0.0006                 0.0008
 Beta2  Fr= 1--      0.1146                 0.0589                 0.0139
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0027
 Gamma2 Fr= 1--      0.0520                -0.1153                -0.0703
 Delta2 Fr= 1--      0.0323                -0.0129                -0.0040
 Raman1 Fr= 1--       3.321                  1.764                  0.529
 ROA1   Fr= 1--       6.024                -11.484                 -6.877
 CID1   Fr= 1--       1.814                 -6.510                -12.990
 Raman2 Fr= 1--       1.375                  0.706                  0.167
 ROA2   Fr= 1--       0.989                 -2.664                 -1.656
 CID2   Fr= 1--       0.719                 -3.770                 -9.943
 Raman3 Fr= 1--       2.750                  1.413                  0.333
 ROA3   Fr= 1--       6.024                -11.484                 -6.877
 CID3   Fr= 1--       2.191                 -8.127                -20.646
 RC180  Fr= 1--       0.656                  0.602                  0.258
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.04    -0.04  -0.03  -0.02     0.01  -0.01  -0.01
     2   6    -0.04  -0.03  -0.17    -0.04  -0.04  -0.19     0.02  -0.01  -0.02
     3   6    -0.07  -0.02  -0.02    -0.10   0.04   0.05     0.02   0.04   0.04
     4   6     0.02  -0.00   0.09    -0.02  -0.01   0.11    -0.02  -0.00  -0.03
     5   6    -0.03  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00  -0.02
     6   6    -0.01  -0.09  -0.16    -0.01   0.04   0.08    -0.00   0.03  -0.00
     7   8     0.27   0.04   0.26    -0.04  -0.09   0.05     0.01  -0.03   0.02
     8   1    -0.09  -0.07  -0.25    -0.15  -0.15  -0.36    -0.00  -0.02  -0.05
     9   1     0.08   0.02  -0.21     0.19   0.04  -0.27     0.09  -0.02  -0.02
    10   1    -0.19  -0.02  -0.01    -0.25   0.15   0.04     0.01   0.15   0.02
    11   1    -0.05  -0.02  -0.02    -0.05   0.04   0.17     0.03   0.04   0.14
    12   1    -0.02   0.06   0.24    -0.05   0.01   0.20    -0.00  -0.01  -0.09
    13   1     0.17  -0.05   0.10     0.05  -0.08   0.13    -0.10  -0.01  -0.02
    14   6    -0.21   0.09  -0.00     0.20   0.09  -0.09    -0.02  -0.03   0.00
    15   1     0.03  -0.02   0.05    -0.04  -0.09  -0.10     0.01  -0.01  -0.00
    16   1    -0.02  -0.08  -0.30     0.01   0.04   0.19     0.00   0.03   0.06
    17   1     0.06  -0.24  -0.12    -0.02   0.16   0.05    -0.01   0.09  -0.02
    18   1    -0.27   0.09  -0.06     0.30   0.14   0.03    -0.34   0.39  -0.15
    19   1    -0.22   0.18   0.11     0.24   0.11  -0.21    -0.25  -0.45   0.28
    20   1    -0.28   0.09  -0.06     0.20   0.08  -0.17     0.50  -0.04  -0.11
                      4                      5                      6
                      A                      A                      A
 Frequencies --    263.5604               345.1455               364.4974
 Red. masses --      1.8583                 2.6156                 2.0499
 Frc consts  --      0.0761                 0.1836                 0.1605
 IR Inten    --      0.1709                 0.5992                 0.3745
 RamAct Fr= 1--      0.3928                 0.6705                 0.5585
  Dep-P Fr= 1--      0.2555                 0.6812                 0.6690
  Dep-U Fr= 1--      0.4071                 0.8104                 0.8017
 Alpha2 Fr= 1--      0.0046                 0.0008                 0.0008
 Beta2  Fr= 1--      0.0267                 0.0906                 0.0746
 AlphaG Fr= 1--      0.0036                -0.0025                -0.0027
 Gamma2 Fr= 1--      0.0755                -0.1661                 0.1921
 Delta2 Fr= 1--     -0.0115                -0.1111                -0.0025
 Raman1 Fr= 1--       1.571                  2.682                  2.234
 ROA1   Fr= 1--       6.880                -19.503                 18.360
 CID1   Fr= 1--       4.378                 -7.272                  8.219
 Raman2 Fr= 1--       0.320                  1.087                  0.895
 ROA2   Fr= 1--       1.904                 -3.098                  4.630
 CID2   Fr= 1--       5.954                 -2.851                  5.171
 Raman3 Fr= 1--       0.640                  2.173                  1.791
 ROA3   Fr= 1--       6.880                -19.503                 18.360
 CID3   Fr= 1--      10.756                 -8.974                 10.252
 RC180  Fr= 1--      -0.186                  0.621                  0.603
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.05    -0.03  -0.10  -0.09    -0.08   0.04   0.03
     2   6    -0.04  -0.00   0.04    -0.11  -0.09   0.03     0.00   0.04  -0.02
     3   6    -0.03  -0.14  -0.13    -0.04   0.05  -0.02     0.03   0.05  -0.04
     4   6     0.03  -0.00   0.04    -0.09   0.11  -0.05     0.13   0.05   0.08
     5   6     0.02  -0.00   0.04    -0.00   0.10   0.10    -0.03   0.02  -0.03
     6   6     0.01  -0.03   0.04    -0.01  -0.09  -0.07    -0.08  -0.08  -0.06
     7   8    -0.03   0.02  -0.02     0.09  -0.01  -0.01    -0.07   0.05   0.03
     8   1     0.02   0.02   0.12    -0.02   0.03   0.19     0.04  -0.07  -0.04
     9   1    -0.21   0.05   0.05    -0.22  -0.25   0.13     0.01   0.10  -0.05
    10   1     0.00  -0.40  -0.06    -0.04   0.12  -0.04    -0.02  -0.01  -0.02
    11   1    -0.07  -0.14  -0.39     0.07   0.06   0.03     0.02   0.05  -0.09
    12   1    -0.00   0.00   0.15    -0.08  -0.03  -0.19     0.08   0.22   0.36
    13   1     0.19   0.05   0.01    -0.23   0.25  -0.10     0.42  -0.09   0.11
    14   6     0.03   0.15  -0.03     0.15   0.03   0.11     0.07  -0.13   0.01
    15   1     0.00  -0.04   0.00    -0.01   0.12   0.10    -0.08   0.08  -0.05
    16   1     0.01  -0.03  -0.01    -0.19  -0.11  -0.26    -0.08  -0.07  -0.31
    17   1     0.01  -0.08   0.05     0.21  -0.29  -0.04    -0.07  -0.31   0.00
    18   1    -0.13   0.48  -0.06     0.21   0.09   0.19     0.05  -0.11   0.00
    19   1    -0.08  -0.02   0.14     0.15  -0.11  -0.03     0.02  -0.37  -0.07
    20   1     0.31   0.13  -0.25     0.29   0.04   0.16     0.28  -0.12   0.17
                      7                      8                      9
                      A                      A                      A
 Frequencies --    429.2549               465.2393               495.8876
 Red. masses --      2.3132                 2.0027                 3.8020
 Frc consts  --      0.2511                 0.2554                 0.5508
 IR Inten    --      1.0580                 1.6239                 9.7984
 RamAct Fr= 1--      1.0270                 0.5279                 0.9877
  Dep-P Fr= 1--      0.6465                 0.6876                 0.7206
  Dep-U Fr= 1--      0.7853                 0.8149                 0.8376
 Alpha2 Fr= 1--      0.0019                 0.0006                 0.0005
 Beta2  Fr= 1--      0.1344                 0.0717                 0.1379
 AlphaG Fr= 1--     -0.0029                 0.0062                -0.0078
 Gamma2 Fr= 1--     -0.5323                 0.3259                 0.0808
 Delta2 Fr= 1--      0.0672                 0.0003                 0.0435
 Raman1 Fr= 1--       4.108                  2.112                  3.951
 ROA1   Fr= 1--     -48.945                 31.293                  9.150
 CID1   Fr= 1--     -11.914                 14.820                  2.316
 Raman2 Fr= 1--       1.613                  0.860                  1.655
 ROA2   Fr= 1--     -13.312                  7.819                  1.591
 CID2   Fr= 1--      -8.253                  9.088                  0.962
 Raman3 Fr= 1--       3.226                  1.721                  3.309
 ROA3   Fr= 1--     -48.945                 31.293                  9.150
 CID3   Fr= 1--     -15.172                 18.187                  2.765
 RC180  Fr= 1--       0.571                  0.630                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.02  -0.11     0.03   0.07   0.02    -0.04  -0.10   0.05
     2   6     0.01  -0.02   0.07     0.14   0.05  -0.03     0.01  -0.18  -0.04
     3   6    -0.02  -0.10   0.04     0.04  -0.12   0.08     0.08  -0.06   0.03
     4   6    -0.04   0.06   0.12    -0.10  -0.01   0.01     0.01   0.04  -0.00
     5   6    -0.08   0.06  -0.05    -0.10   0.01   0.06    -0.11   0.02  -0.01
     6   6    -0.04   0.16  -0.07    -0.05   0.01  -0.09    -0.11  -0.05   0.15
     7   8     0.09  -0.06  -0.01    -0.03   0.01  -0.01     0.13   0.27  -0.12
     8   1     0.02   0.21   0.20    -0.03  -0.08  -0.30    -0.04  -0.44  -0.22
     9   1    -0.13  -0.18   0.17     0.39   0.21  -0.16     0.25  -0.05  -0.15
    10   1    -0.04  -0.32   0.10     0.07  -0.30   0.12     0.04  -0.02   0.03
    11   1     0.00  -0.09  -0.20    -0.02  -0.12  -0.13     0.19  -0.05   0.05
    12   1    -0.04   0.23   0.25    -0.01  -0.02  -0.26     0.05   0.14  -0.03
    13   1     0.14  -0.07   0.15    -0.33   0.08  -0.00     0.01   0.01   0.01
    14   6     0.02  -0.06  -0.03     0.04   0.02   0.03    -0.02  -0.02  -0.02
    15   1    -0.03  -0.02  -0.04    -0.06  -0.06   0.06    -0.18   0.07  -0.05
    16   1    -0.07   0.15   0.22    -0.04   0.02  -0.34    -0.21  -0.07   0.44
    17   1    -0.01   0.43  -0.16     0.01  -0.24  -0.01    -0.15   0.23   0.07
    18   1     0.06  -0.13  -0.01     0.13   0.08   0.14     0.01   0.01   0.02
    19   1     0.01  -0.20  -0.15     0.07  -0.04  -0.10    -0.01  -0.08  -0.09
    20   1     0.10  -0.05   0.13     0.12   0.02   0.01     0.04  -0.01  -0.00
                     10                     11                     12
                      A                      A                      A
 Frequencies --    558.5884               678.9745               750.2405
 Red. masses --      3.0234                 2.8180                 2.4778
 Frc consts  --      0.5558                 0.7654                 0.8217
 IR Inten    --      1.5593                 1.9343                 3.9991
 RamAct Fr= 1--      1.6943                10.1850                11.9305
  Dep-P Fr= 1--      0.1366                 0.0339                 0.0594
  Dep-U Fr= 1--      0.2403                 0.0657                 0.1122
 Alpha2 Fr= 1--      0.0271                 0.2090                 0.2304
 Beta2  Fr= 1--      0.0679                 0.1115                 0.2231
 AlphaG Fr= 1--      0.0375                -0.1055                 0.1064
 Gamma2 Fr= 1--     -0.0615                 0.5149                 0.0027
 Delta2 Fr= 1--      0.1847                 0.1696                -0.7481
 Raman1 Fr= 1--       6.777                 40.740                 47.722
 ROA1   Fr= 1--       0.004                 54.853                -23.680
 CID1   Fr= 1--       0.001                  1.346                 -0.496
 Raman2 Fr= 1--       0.814                  1.338                  2.677
 ROA2   Fr= 1--      -2.954                 11.000                  6.050
 CID2   Fr= 1--      -3.627                  8.224                  2.260
 Raman3 Fr= 1--       1.629                  2.675                  5.353
 ROA3   Fr= 1--       0.004                 54.853                -23.680
 CID3   Fr= 1--       0.002                 20.505                 -4.423
 RC180  Fr= 1--      -0.519                 -0.869                 -0.776
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.14  -0.04   0.18     0.22  -0.01   0.10    -0.04  -0.06  -0.10
     2   6    -0.05  -0.03   0.02     0.05   0.09  -0.01     0.03   0.16   0.01
     3   6    -0.10   0.00   0.04    -0.06   0.05  -0.09     0.01   0.14  -0.01
     4   6    -0.10   0.14   0.05    -0.03  -0.03  -0.03    -0.01   0.10   0.05
     5   6     0.12   0.14  -0.14    -0.18  -0.03   0.05    -0.03  -0.08   0.06
     6   6     0.08  -0.05   0.04    -0.06  -0.02   0.07     0.01  -0.15   0.10
     7   8     0.00  -0.05  -0.07     0.09  -0.08  -0.10     0.05  -0.04   0.00
     8   1    -0.18  -0.13  -0.19     0.06   0.22   0.07     0.02   0.11  -0.04
     9   1     0.11   0.22  -0.12    -0.17   0.21  -0.02     0.19   0.07   0.02
    10   1    -0.16  -0.21   0.10    -0.05   0.38  -0.17     0.06  -0.37   0.12
    11   1     0.04   0.02  -0.21    -0.07   0.04   0.27    -0.14   0.15  -0.54
    12   1    -0.12   0.05   0.02    -0.08   0.16   0.24     0.02  -0.03  -0.14
    13   1    -0.17   0.08   0.08     0.27  -0.07  -0.04    -0.24   0.16   0.05
    14   6    -0.03  -0.05  -0.07    -0.03  -0.01   0.01    -0.03  -0.05  -0.07
    15   1     0.13   0.04  -0.17    -0.18   0.02   0.08    -0.12  -0.02  -0.00
    16   1    -0.08  -0.06  -0.16    -0.11  -0.03  -0.03     0.05  -0.16   0.32
    17   1    -0.10  -0.27   0.14    -0.16  -0.18   0.13     0.10   0.09   0.01
    18   1    -0.19  -0.28  -0.29     0.14   0.16   0.22    -0.00   0.03  -0.02
    19   1    -0.10  -0.13   0.08     0.03  -0.05  -0.21    -0.01  -0.02  -0.09
    20   1    -0.06  -0.02   0.23     0.07  -0.02  -0.12    -0.03  -0.06  -0.20
                     13                     14                     15
                      A                      A                      A
 Frequencies --    789.9725               828.1998               880.9450
 Red. masses --      2.3025                 1.7943                 2.3549
 Frc consts  --      0.8466                 0.7251                 1.0768
 IR Inten    --      2.8254                 1.1431                 1.8895
 RamAct Fr= 1--      2.5858                 0.7060                 3.1520
  Dep-P Fr= 1--      0.0913                 0.5808                 0.4312
  Dep-U Fr= 1--      0.1673                 0.7348                 0.6025
 Alpha2 Fr= 1--      0.0462                 0.0022                 0.0208
 Beta2  Fr= 1--      0.0721                 0.0865                 0.3165
 AlphaG Fr= 1--      0.0843                -0.0097                -0.0452
 Gamma2 Fr= 1--      0.5153                 0.3143                -1.3231
 Delta2 Fr= 1--      0.2768                 0.2670                -0.8619
 Raman1 Fr= 1--      10.343                  2.824                 12.608
 ROA1   Fr= 1--      58.329                 38.718               -154.600
 CID1   Fr= 1--       5.639                 13.710                -12.262
 Raman2 Fr= 1--       0.865                  1.038                  3.798
 ROA2   Fr= 1--      10.154                  5.408                -24.860
 CID2   Fr= 1--      11.735                  5.212                 -6.545
 Raman3 Fr= 1--       1.731                  2.075                  7.597
 ROA3   Fr= 1--      58.329                 38.718               -154.600
 CID3   Fr= 1--      33.705                 18.658                -20.350
 RC180  Fr= 1--      -0.665                  0.470                  0.205
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.09  -0.00     0.02   0.03  -0.07    -0.01  -0.01   0.02
     2   6     0.02  -0.11  -0.07     0.01   0.05  -0.11     0.18  -0.04  -0.03
     3   6     0.06  -0.01  -0.03     0.01  -0.06   0.06    -0.01   0.10  -0.12
     4   6    -0.07   0.11   0.07     0.08  -0.05   0.03    -0.15  -0.04   0.10
     5   6    -0.06  -0.06   0.08     0.02   0.06  -0.02     0.07  -0.05  -0.03
     6   6     0.13   0.05   0.07    -0.09  -0.01   0.14    -0.10   0.02  -0.02
     7   8    -0.04   0.03   0.03     0.03  -0.00  -0.01     0.00   0.03  -0.01
     8   1     0.18   0.04   0.19     0.09   0.39   0.16     0.47  -0.12   0.24
     9   1    -0.26  -0.29   0.07    -0.28  -0.21   0.07    -0.09  -0.13   0.07
    10   1    -0.09   0.10  -0.04    -0.16  -0.05   0.08    -0.11   0.04  -0.09
    11   1     0.32   0.00   0.06    -0.08  -0.07   0.10     0.06   0.11  -0.17
    12   1    -0.02   0.19  -0.02     0.17  -0.11  -0.27    -0.22  -0.20   0.18
    13   1    -0.09   0.18   0.04    -0.22   0.01   0.03    -0.14  -0.09   0.12
    14   6    -0.05  -0.08  -0.12     0.01   0.02  -0.02     0.06   0.02   0.06
    15   1    -0.01  -0.16   0.07    -0.18   0.10  -0.19     0.08  -0.28  -0.12
    16   1     0.30   0.08  -0.28    -0.16  -0.01  -0.15    -0.17   0.01  -0.01
    17   1     0.19  -0.26   0.15    -0.10  -0.30   0.22    -0.21  -0.00  -0.00
    18   1     0.00   0.02  -0.04    -0.11  -0.15  -0.19    -0.10  -0.07  -0.12
    19   1    -0.02  -0.04  -0.18    -0.05  -0.05   0.11    -0.00   0.12   0.31
    20   1    -0.05  -0.09  -0.26    -0.02   0.04   0.20    -0.09   0.03   0.12
                     16                     17                     18
                      A                      A                      A
 Frequencies --    902.6595               958.3398               977.1135
 Red. masses --      1.5218                 1.7974                 2.2628
 Frc consts  --      0.7306                 0.9726                 1.2729
 IR Inten    --      1.8227                 0.6385                 1.5698
 RamAct Fr= 1--      0.6018                 3.7061                 4.2992
  Dep-P Fr= 1--      0.4261                 0.3550                 0.5957
  Dep-U Fr= 1--      0.5976                 0.5240                 0.7467
 Alpha2 Fr= 1--      0.0040                 0.0320                 0.0123
 Beta2  Fr= 1--      0.0599                 0.3237                 0.5350
 AlphaG Fr= 1--      0.0057                -0.0746                -0.0803
 Gamma2 Fr= 1--      0.0881                 1.9123                 1.1540
 Delta2 Fr= 1--      0.5092                 1.2657                -0.5745
 Raman1 Fr= 1--       2.407                 14.824                 17.197
 ROA1   Fr= 1--      24.747                224.087                 92.402
 CID1   Fr= 1--      10.281                 15.116                  5.373
 Raman2 Fr= 1--       0.719                  3.884                  6.420
 ROA2   Fr= 1--      -1.960                 35.771                 32.293
 CID2   Fr= 1--      -2.726                  9.210                  5.030
 Raman3 Fr= 1--       1.438                  7.768                 12.840
 ROA3   Fr= 1--      24.747                224.087                 92.402
 CID3   Fr= 1--      17.205                 28.847                  7.196
 RC180  Fr= 1--       0.195                  0.048                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.00  -0.09    -0.06  -0.01  -0.03    -0.02  -0.06   0.01
     2   6     0.03   0.00   0.05     0.10   0.04   0.02     0.04  -0.00   0.07
     3   6    -0.02  -0.00   0.02    -0.03  -0.06  -0.05    -0.07   0.01  -0.05
     4   6    -0.09  -0.02  -0.09    -0.05  -0.04   0.02     0.08  -0.05   0.05
     5   6     0.00   0.03  -0.01    -0.05   0.09   0.00     0.07   0.08   0.15
     6   6     0.02   0.04   0.11     0.11  -0.10   0.02    -0.07   0.11  -0.01
     7   8     0.02  -0.00   0.01    -0.02   0.02   0.03     0.02   0.00  -0.01
     8   1    -0.11  -0.00  -0.11     0.17  -0.07   0.05     0.08  -0.24  -0.01
     9   1     0.33  -0.15   0.05     0.03   0.10   0.01     0.11   0.16  -0.02
    10   1     0.29  -0.05  -0.02    -0.01   0.21  -0.12    -0.07   0.11  -0.08
    11   1    -0.10  -0.01  -0.05    -0.15  -0.08   0.27    -0.24  -0.01   0.12
    12   1    -0.18   0.18   0.35    -0.08  -0.07   0.07     0.03  -0.34  -0.07
    13   1     0.36  -0.20  -0.06     0.05   0.11  -0.05    -0.05   0.27  -0.06
    14   6     0.03  -0.01  -0.00    -0.03   0.08  -0.05    -0.03  -0.09  -0.15
    15   1    -0.09   0.04  -0.09    -0.10  -0.01  -0.10     0.12   0.09   0.21
    16   1    -0.09   0.03  -0.24     0.19  -0.10   0.20    -0.42   0.08  -0.16
    17   1     0.24  -0.28   0.18     0.25   0.14  -0.07     0.30  -0.08   0.00
    18   1    -0.10  -0.01  -0.12     0.02  -0.24  -0.11    -0.05  -0.03  -0.15
    19   1    -0.00   0.11   0.19    -0.09  -0.31  -0.24    -0.02  -0.03  -0.13
    20   1    -0.10  -0.01  -0.06     0.14   0.12   0.48    -0.05  -0.09  -0.25
                     19                     20                     21
                      A                      A                      A
 Frequencies --    982.4575              1039.0991              1066.6877
 Red. masses --      1.5626                 1.9243                 1.4816
 Frc consts  --      0.8887                 1.2242                 0.9932
 IR Inten    --      1.2206                 0.8051                 4.2558
 RamAct Fr= 1--      3.4877                 2.1492                 4.2089
  Dep-P Fr= 1--      0.7040                 0.7010                 0.6281
  Dep-U Fr= 1--      0.8263                 0.8242                 0.7716
 Alpha2 Fr= 1--      0.0028                 0.0018                 0.0093
 Beta2  Fr= 1--      0.4803                 0.2952                 0.5412
 AlphaG Fr= 1--     -0.0122                 0.0092                -0.0297
 Gamma2 Fr= 1--     -1.5122                -1.5166                 0.6436
 Delta2 Fr= 1--     -0.6162                -0.7174                 0.0508
 Raman1 Fr= 1--      13.951                  8.597                 16.836
 ROA1   Fr= 1--    -164.888               -168.553                 63.407
 CID1   Fr= 1--     -11.819                -19.606                  3.766
 Raman2 Fr= 1--       5.764                  3.543                  6.495
 ROA2   Fr= 1--     -31.362                -30.661                 15.039
 CID2   Fr= 1--      -5.441                 -8.655                  2.316
 Raman3 Fr= 1--      11.528                  7.085                 12.989
 ROA3   Fr= 1--    -164.888               -168.553                 63.407
 CID3   Fr= 1--     -14.304                -23.789                  4.881
 RC180  Fr= 1--       0.653                  0.648                  0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.02    -0.03  -0.01   0.01    -0.01   0.02  -0.03
     2   6     0.02  -0.07  -0.01     0.15   0.00  -0.03    -0.00   0.03  -0.04
     3   6    -0.05   0.11   0.02    -0.13  -0.08   0.06     0.06  -0.04   0.01
     4   6     0.04  -0.09  -0.02     0.00   0.08  -0.07    -0.08  -0.00   0.01
     5   6    -0.03   0.04  -0.04     0.05   0.04  -0.05     0.13   0.04   0.01
     6   6     0.06   0.04   0.02     0.02  -0.07  -0.01    -0.04  -0.04   0.02
     7   8    -0.00   0.01  -0.00    -0.03   0.03   0.02    -0.01   0.01   0.01
     8   1     0.15  -0.14   0.09     0.27   0.07   0.14    -0.12   0.29  -0.05
     9   1     0.10  -0.32   0.08    -0.10  -0.07   0.05     0.02  -0.12   0.02
    10   1    -0.05  -0.26   0.11    -0.37  -0.01   0.08     0.25   0.06  -0.05
    11   1    -0.20   0.11  -0.34    -0.26  -0.09   0.15     0.22  -0.03   0.04
    12   1     0.00  -0.21  -0.00     0.03   0.26  -0.01    -0.20  -0.19   0.21
    13   1    -0.09  -0.26   0.06     0.07  -0.07  -0.02     0.09   0.04  -0.02
    14   6    -0.07   0.03   0.02     0.00  -0.07   0.04    -0.08  -0.01  -0.02
    15   1     0.01   0.25   0.10     0.08   0.32   0.11     0.35   0.06   0.24
    16   1     0.14   0.06  -0.13    -0.03  -0.08   0.16    -0.20  -0.07   0.11
    17   1    -0.07  -0.10   0.08     0.02   0.10  -0.07    -0.33  -0.01   0.05
    18   1     0.16   0.08   0.25     0.03   0.23   0.16     0.14   0.07   0.20
    19   1     0.00  -0.15  -0.35     0.08   0.20   0.05     0.01  -0.12  -0.36
    20   1     0.18   0.03   0.05    -0.06  -0.10  -0.41     0.15  -0.01  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1077.9072              1127.5831              1148.2491
 Red. masses --      1.5424                 1.2484                 2.1498
 Frc consts  --      1.0558                 0.9352                 1.6700
 IR Inten    --      5.6606                17.5679                 0.6188
 RamAct Fr= 1--      0.5794                 3.0549                 2.4403
  Dep-P Fr= 1--      0.4697                 0.6870                 0.7108
  Dep-U Fr= 1--      0.6391                 0.8144                 0.8310
 Alpha2 Fr= 1--      0.0033                 0.0034                 0.0017
 Beta2  Fr= 1--      0.0617                 0.4147                 0.3380
 AlphaG Fr= 1--      0.0263                 0.0327                -0.0020
 Gamma2 Fr= 1--     -0.2996                 0.3022                -0.1756
 Delta2 Fr= 1--     -0.1807                 0.2408                -0.0066
 Raman1 Fr= 1--       2.318                 12.219                  9.761
 ROA1   Fr= 1--     -34.542                 36.721                -17.072
 CID1   Fr= 1--     -14.904                  3.005                 -1.749
 Raman2 Fr= 1--       0.741                  4.976                  4.056
 ROA2   Fr= 1--      -5.743                  5.327                 -4.162
 CID2   Fr= 1--      -7.755                  1.071                 -1.026
 Raman3 Fr= 1--       1.481                  9.952                  8.111
 ROA3   Fr= 1--     -34.542                 36.721                -17.072
 CID3   Fr= 1--     -23.319                  3.690                 -2.105
 RC180  Fr= 1--       0.278                  0.629                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.07  -0.02     0.04   0.08  -0.03     0.07   0.01   0.13
     2   6     0.04  -0.06   0.04     0.02  -0.05   0.04    -0.02  -0.02  -0.13
     3   6    -0.12  -0.01   0.00    -0.03  -0.00  -0.02     0.03   0.05   0.08
     4   6     0.06   0.08  -0.02     0.01  -0.01   0.02    -0.03  -0.05  -0.07
     5   6     0.02  -0.08   0.03    -0.01   0.04   0.01    -0.03   0.05   0.14
     6   6    -0.05  -0.01  -0.01    -0.04  -0.04  -0.01    -0.01  -0.05  -0.10
     7   8     0.00  -0.00  -0.00    -0.01  -0.01   0.01    -0.05   0.02  -0.00
     8   1    -0.09   0.04  -0.06    -0.13   0.06  -0.08     0.04   0.28   0.09
     9   1     0.33  -0.36   0.11     0.03   0.08  -0.02    -0.06  -0.39   0.05
    10   1     0.08   0.03  -0.04    -0.06   0.03  -0.03     0.25  -0.18   0.11
    11   1    -0.21  -0.01   0.06     0.45   0.03  -0.03    -0.14   0.05  -0.17
    12   1     0.01  -0.08  -0.02    -0.17  -0.44   0.14    -0.09  -0.00   0.17
    13   1     0.16   0.48  -0.18    -0.08  -0.07   0.05     0.19  -0.01  -0.09
    14   6     0.01   0.03  -0.01     0.02  -0.03  -0.00     0.06   0.00  -0.08
    15   1    -0.03  -0.13  -0.04    -0.36   0.48  -0.11    -0.07   0.07   0.11
    16   1     0.27   0.03  -0.00     0.23  -0.01   0.07    -0.12  -0.07   0.24
    17   1    -0.45  -0.01   0.04     0.09   0.09  -0.06     0.23   0.21  -0.19
    18   1    -0.01  -0.10  -0.06    -0.05   0.05  -0.04    -0.13  -0.15  -0.30
    19   1    -0.03  -0.07   0.01     0.02   0.08   0.09    -0.04  -0.02   0.17
    20   1     0.02   0.03   0.14    -0.06  -0.04  -0.12    -0.11   0.01   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1199.4517              1246.9655              1249.8704
 Red. masses --      1.7195                 1.7890                 1.2696
 Frc consts  --      1.4575                 1.6390                 1.1686
 IR Inten    --      2.9749                23.0858                 7.0828
 RamAct Fr= 1--      2.6690                 2.7744                 8.8779
  Dep-P Fr= 1--      0.7206                 0.6488                 0.6209
  Dep-U Fr= 1--      0.8376                 0.7870                 0.7661
 Alpha2 Fr= 1--      0.0014                 0.0050                 0.0210
 Beta2  Fr= 1--      0.3726                 0.3639                 1.1336
 AlphaG Fr= 1--      0.0108                 0.0265                 0.0269
 Gamma2 Fr= 1--      3.1759                -0.5701                 2.5106
 Delta2 Fr= 1--      0.6945                -0.4849                -0.3306
 Raman1 Fr= 1--      10.676                 11.098                 35.512
 ROA1   Fr= 1--     327.107                -70.251                230.433
 CID1   Fr= 1--      30.639                 -6.330                  6.489
 Raman2 Fr= 1--       4.471                  4.367                 13.603
 ROA2   Fr= 1--      70.664                 -9.804                 62.899
 CID2   Fr= 1--      15.805                 -2.245                  4.624
 Raman3 Fr= 1--       8.942                  8.734                 27.205
 ROA3   Fr= 1--     327.107                -70.251                230.433
 CID3   Fr= 1--      36.580                 -8.043                  8.470
 RC180  Fr= 1--       0.675                  0.574                  0.532
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.03     0.08   0.18  -0.09     0.05   0.05   0.03
     2   6    -0.05   0.04  -0.03    -0.06  -0.02   0.04     0.01  -0.02   0.01
     3   6     0.06  -0.02  -0.07     0.01   0.01  -0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.03   0.12    -0.02  -0.04   0.01     0.03   0.01   0.03
     5   6    -0.06   0.11  -0.07     0.00   0.04   0.06     0.01  -0.03  -0.07
     6   6     0.06  -0.02  -0.02     0.03  -0.07   0.00    -0.00  -0.01   0.01
     7   8    -0.00  -0.00  -0.00    -0.01  -0.03   0.01    -0.04   0.02   0.02
     8   1     0.01  -0.04   0.01     0.16  -0.49   0.04    -0.16   0.22  -0.06
     9   1     0.21  -0.31   0.07     0.14  -0.07   0.02     0.23  -0.27   0.07
    10   1     0.42   0.13  -0.16    -0.11   0.01  -0.02     0.01   0.06  -0.07
    11   1    -0.43  -0.06   0.15     0.01   0.00   0.02     0.11   0.01  -0.00
    12   1     0.02  -0.12  -0.06     0.15   0.37  -0.13     0.08   0.01  -0.11
    13   1    -0.14   0.20   0.04    -0.09  -0.25   0.09    -0.05   0.04   0.02
    14   6     0.03  -0.08   0.04     0.02   0.00  -0.03    -0.04   0.00   0.04
    15   1    -0.08   0.10  -0.10     0.09   0.04   0.15    -0.06  -0.25  -0.23
    16   1     0.11  -0.01   0.01    -0.41  -0.13   0.22    -0.48  -0.07   0.11
    17   1    -0.20   0.03   0.00    -0.28   0.02   0.02     0.54   0.03  -0.07
    18   1    -0.06   0.19   0.04    -0.05  -0.06  -0.11     0.08   0.06   0.17
    19   1     0.08   0.21   0.14    -0.01  -0.02   0.03     0.01   0.00  -0.08
    20   1    -0.11  -0.09  -0.25    -0.04  -0.00  -0.02     0.07  -0.00  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1279.4185              1309.6035              1341.5270
 Red. masses --      1.3875                 1.4698                 1.4927
 Frc consts  --      1.3382                 1.4853                 1.5828
 IR Inten    --      4.3570                 3.4092                12.5371
 RamAct Fr= 1--      3.8098                 4.6854                 3.9911
  Dep-P Fr= 1--      0.6352                 0.7279                 0.7255
  Dep-U Fr= 1--      0.7769                 0.8425                 0.8409
 Alpha2 Fr= 1--      0.0079                 0.0018                 0.0017
 Beta2  Fr= 1--      0.4933                 0.6579                 0.5594
 AlphaG Fr= 1--      0.0379                -0.0066                -0.0028
 Gamma2 Fr= 1--     -3.7020                 0.0040                -0.9824
 Delta2 Fr= 1--     -0.7440                 0.8366                -0.4635
 Raman1 Fr= 1--      15.239                 18.742                 15.964
 ROA1   Fr= 1--    -379.202                 27.156               -109.144
 CID1   Fr= 1--     -24.884                  1.449                 -6.837
 Raman2 Fr= 1--       5.920                  7.895                  6.712
 ROA2   Fr= 1--     -82.896                 -6.597                -19.871
 CID2   Fr= 1--     -14.003                 -0.836                 -2.960
 Raman3 Fr= 1--      11.840                 15.790                 13.425
 ROA3   Fr= 1--    -379.202                 27.156               -109.144
 CID3   Fr= 1--     -32.028                  1.720                 -8.130
 RC180  Fr= 1--       0.554                  0.685                  0.682
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.07   0.02     0.02  -0.01   0.04    -0.01  -0.05   0.04
     2   6     0.05  -0.00   0.04    -0.03   0.02   0.01    -0.08   0.15  -0.02
     3   6    -0.02   0.01  -0.07     0.03  -0.03  -0.07     0.04  -0.06   0.01
     4   6     0.03  -0.02   0.00    -0.04   0.04   0.02     0.00   0.04  -0.03
     5   6    -0.08   0.04   0.03     0.09  -0.04   0.03    -0.02  -0.04  -0.00
     6   6     0.06   0.00  -0.01    -0.13  -0.00   0.00     0.03   0.03  -0.02
     7   8    -0.01   0.02   0.01     0.01  -0.00  -0.02     0.01  -0.00  -0.01
     8   1    -0.32   0.45  -0.14    -0.04   0.01  -0.01     0.27  -0.28   0.14
     9   1     0.24  -0.15   0.07     0.22  -0.22   0.06     0.38  -0.40   0.13
    10   1    -0.28   0.08  -0.06    -0.01   0.12  -0.10    -0.47   0.03   0.06
    11   1     0.24   0.02  -0.03    -0.21  -0.05   0.09     0.28  -0.04   0.04
    12   1     0.10   0.08  -0.10     0.09   0.30  -0.10    -0.15  -0.28   0.11
    13   1    -0.15  -0.25   0.10    -0.19  -0.40   0.20     0.10   0.04  -0.05
    14   6     0.05   0.00  -0.03    -0.02   0.02  -0.02     0.00   0.01   0.00
    15   1     0.24  -0.04   0.30     0.02   0.25   0.10    -0.10   0.07  -0.03
    16   1    -0.03  -0.01  -0.01     0.47   0.07  -0.03    -0.10   0.02  -0.02
    17   1    -0.28  -0.02   0.04     0.30   0.02  -0.05    -0.02  -0.03   0.01
    18   1    -0.08  -0.04  -0.15     0.05  -0.08  -0.00     0.01  -0.03  -0.00
    19   1    -0.01   0.00   0.12    -0.03  -0.06  -0.05    -0.02  -0.04   0.01
    20   1    -0.10   0.01   0.03     0.08   0.03   0.06    -0.01   0.01   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1360.5266              1373.9865              1382.6947
 Red. masses --      1.5157                 1.3965                 1.4384
 Frc consts  --      1.6531                 1.5533                 1.6203
 IR Inten    --      5.5469                 0.9055                 2.5925
 RamAct Fr= 1--      4.0398                 0.8540                 1.4095
  Dep-P Fr= 1--      0.6824                 0.7419                 0.7437
  Dep-U Fr= 1--      0.8113                 0.8518                 0.8530
 Alpha2 Fr= 1--      0.0048                 0.0001                 0.0002
 Beta2  Fr= 1--      0.5462                 0.1212                 0.2004
 AlphaG Fr= 1--     -0.0067                 0.0004                 0.0034
 Gamma2 Fr= 1--     -1.0739                 0.9796                 0.7385
 Delta2 Fr= 1--     -0.2221                 0.9649                 0.1155
 Raman1 Fr= 1--      16.159                  3.416                  5.638
 ROA1   Fr= 1--    -110.202                124.914                 74.591
 CID1   Fr= 1--      -6.820                 36.566                 13.230
 Raman2 Fr= 1--       6.555                  1.455                  2.404
 ROA2   Fr= 1--     -23.997                 15.790                 16.799
 CID2   Fr= 1--      -3.661                 10.853                  6.987
 Raman3 Fr= 1--      13.109                  2.910                  4.809
 ROA3   Fr= 1--    -110.202                124.914                 74.591
 CID3   Fr= 1--      -8.406                 42.928                 15.511
 RC180  Fr= 1--       0.623                  0.704                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02   0.01    -0.00  -0.00   0.01     0.03   0.06  -0.02
     2   6     0.01   0.02  -0.03    -0.01   0.05  -0.02    -0.01  -0.01  -0.00
     3   6    -0.08  -0.04   0.01    -0.10   0.01   0.03     0.02  -0.02   0.01
     4   6     0.03   0.07   0.03    -0.01  -0.10   0.03     0.06   0.09  -0.04
     5   6    -0.03  -0.14  -0.04    -0.02   0.04  -0.05    -0.09   0.03  -0.06
     6   6     0.06   0.04  -0.01    -0.06  -0.02   0.03    -0.06  -0.03   0.04
     7   8    -0.00   0.01   0.00     0.01  -0.01  -0.01     0.00  -0.01  -0.00
     8   1     0.11  -0.08   0.02     0.17  -0.14   0.08     0.04  -0.12   0.00
     9   1    -0.10   0.01  -0.00     0.07  -0.06   0.02    -0.05   0.01  -0.00
    10   1     0.55   0.10  -0.12     0.19   0.00  -0.02     0.01  -0.01   0.02
    11   1     0.07  -0.02   0.02     0.53   0.05  -0.12    -0.17  -0.04   0.07
    12   1    -0.01  -0.07  -0.00     0.17   0.25  -0.16    -0.17  -0.46   0.14
    13   1    -0.19  -0.11   0.12     0.13   0.30  -0.14    -0.08  -0.20   0.08
    14   6     0.03   0.04  -0.02     0.01  -0.02  -0.02     0.03  -0.00   0.00
    15   1     0.00   0.50   0.30     0.30  -0.00   0.23     0.50  -0.34   0.33
    16   1    -0.34  -0.01   0.00     0.27   0.02  -0.02     0.13  -0.02   0.07
    17   1    -0.01  -0.06   0.03     0.20   0.02  -0.02     0.27  -0.03   0.01
    18   1     0.03  -0.10  -0.06     0.02   0.11   0.04    -0.06   0.04  -0.07
    19   1    -0.06  -0.09   0.12     0.01   0.12   0.11     0.01   0.01   0.05
    20   1    -0.04   0.05   0.13     0.00  -0.00   0.12    -0.10   0.00   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1396.2077              1421.4058              1466.3572
 Red. masses --      1.4178                 1.2549                 1.1000
 Frc consts  --      1.6284                 1.4938                 1.3936
 IR Inten    --      0.5821                 7.8309                 8.7816
 RamAct Fr= 1--      0.5118                 0.1090                10.0435
  Dep-P Fr= 1--      0.2223                 0.7133                 0.7483
  Dep-U Fr= 1--      0.3637                 0.8327                 0.8560
 Alpha2 Fr= 1--      0.0065                 0.0001                 0.0003
 Beta2  Fr= 1--      0.0310                 0.0151                 1.4329
 AlphaG Fr= 1--     -0.0318                -0.0004                -0.0142
 Gamma2 Fr= 1--      0.1378                 0.0719                -0.2171
 Delta2 Fr= 1--     -0.1022                 0.0116                 0.3034
 Raman1 Fr= 1--       2.047                  0.436                 40.174
 ROA1   Fr= 1--       9.961                  7.271                -11.131
 CID1   Fr= 1--       4.866                 16.679                 -0.277
 Raman2 Fr= 1--       0.372                  0.181                 17.195
 ROA2   Fr= 1--       4.126                  1.632                 -7.637
 CID2   Fr= 1--      11.082                  8.992                 -0.444
 Raman3 Fr= 1--       0.745                  0.363                 34.389
 ROA3   Fr= 1--       9.961                  7.271                -11.131
 CID3   Fr= 1--      13.378                 20.031                 -0.324
 RC180  Fr= 1--      -0.273                  0.665                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03  -0.01    -0.00  -0.00  -0.00    -0.00  -0.01   0.00
     2   6    -0.01  -0.05   0.02     0.00   0.01   0.00     0.04   0.04   0.02
     3   6     0.11   0.03  -0.01    -0.00  -0.01   0.00     0.01   0.00   0.00
     4   6    -0.06  -0.04   0.04     0.02   0.02  -0.02    -0.01  -0.01   0.01
     5   6    -0.02  -0.07  -0.08     0.01   0.01   0.04    -0.00   0.00  -0.01
     6   6    -0.01  -0.00   0.02     0.01   0.01  -0.02    -0.01   0.04  -0.05
     7   8    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
     8   1    -0.13   0.13  -0.03    -0.01  -0.03  -0.03    -0.20  -0.23  -0.38
     9   1     0.04   0.07  -0.03    -0.04  -0.02   0.02    -0.36  -0.22   0.20
    10   1    -0.40  -0.04   0.08     0.01   0.05  -0.02    -0.04   0.02   0.00
    11   1    -0.29   0.00   0.00    -0.03  -0.01  -0.03     0.01   0.01  -0.03
    12   1    -0.04   0.02   0.03    -0.04  -0.03   0.08     0.01   0.01  -0.02
    13   1     0.16   0.41  -0.15    -0.10  -0.13   0.05     0.04   0.05  -0.02
    14   6     0.02   0.01  -0.03    -0.04  -0.06  -0.11     0.00   0.00   0.02
    15   1     0.13   0.44   0.32    -0.07  -0.11  -0.10    -0.01   0.03  -0.00
    16   1    -0.11  -0.01   0.01    -0.02  -0.00   0.08     0.09   0.02   0.50
    17   1     0.15  -0.02   0.00    -0.08  -0.07   0.02     0.06  -0.48   0.11
    18   1     0.09   0.04   0.05     0.29   0.30   0.34    -0.06  -0.04  -0.06
    19   1    -0.04   0.05   0.19    -0.07   0.36   0.39     0.04   0.03  -0.06
    20   1     0.01   0.03   0.19     0.19   0.00   0.52     0.05  -0.00  -0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1474.7473              1488.6805              1498.7037
 Red. masses --      1.0886                 1.0714                 1.0598
 Frc consts  --      1.3949                 1.3989                 1.4025
 IR Inten    --      9.6688                 2.8086                 7.7256
 RamAct Fr= 1--      4.1061                 7.2436                 5.4618
  Dep-P Fr= 1--      0.7449                 0.7476                 0.7495
  Dep-U Fr= 1--      0.8538                 0.8556                 0.8568
 Alpha2 Fr= 1--      0.0004                 0.0003                 0.0000
 Beta2  Fr= 1--      0.5843                 1.0329                 0.7800
 AlphaG Fr= 1--      0.0012                -0.0042                 0.0010
 Gamma2 Fr= 1--      0.5892                -2.3501                -0.9353
 Delta2 Fr= 1--      0.3012                -1.1395                 0.2232
 Raman1 Fr= 1--      16.424                 28.974                 21.847
 ROA1   Fr= 1--      66.206               -262.072                -82.650
 CID1   Fr= 1--       4.031                 -9.045                 -3.783
 Raman2 Fr= 1--       7.011                 12.395                  9.360
 ROA2   Fr= 1--      11.732                -47.286                -24.233
 CID2   Fr= 1--       1.673                 -3.815                 -2.589
 Raman3 Fr= 1--      14.023                 24.790                 18.719
 ROA3   Fr= 1--      66.206               -262.072                -82.650
 CID3   Fr= 1--       4.721                -10.572                 -4.415
 RC180  Fr= 1--       0.708                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
     2   6    -0.04  -0.04  -0.01     0.01   0.00   0.01     0.01   0.01  -0.00
     3   6    -0.01   0.00  -0.00     0.00  -0.02   0.03    -0.01   0.02  -0.03
     4   6    -0.02   0.02   0.01    -0.04   0.03   0.03    -0.01   0.01   0.01
     5   6    -0.00   0.00   0.00     0.01   0.01   0.01    -0.01   0.03  -0.01
     6   6     0.00   0.03  -0.04     0.00  -0.01   0.01     0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.19   0.24   0.38    -0.05  -0.05  -0.08    -0.02  -0.02  -0.05
     9   1     0.35   0.26  -0.21    -0.09  -0.03   0.04    -0.05  -0.03   0.02
    10   1     0.04  -0.04   0.00    -0.02   0.28  -0.06     0.05  -0.30   0.07
    11   1    -0.00  -0.00   0.04    -0.06   0.00  -0.28     0.06   0.01   0.30
    12   1     0.04  -0.10  -0.21     0.08  -0.20  -0.44     0.02  -0.08  -0.15
    13   1     0.21  -0.10   0.03     0.46  -0.18   0.05     0.17  -0.05   0.01
    14   6    -0.00  -0.00   0.00     0.03  -0.00  -0.02    -0.01   0.03  -0.02
    15   1    -0.01   0.00  -0.01    -0.03  -0.01  -0.04     0.02  -0.05  -0.01
    16   1     0.07   0.01   0.44    -0.01  -0.00  -0.08     0.03  -0.00   0.00
    17   1     0.01  -0.43   0.11    -0.02   0.08  -0.02    -0.01  -0.00   0.00
    18   1    -0.04  -0.01  -0.03     0.05   0.25   0.11     0.40  -0.36   0.24
    19   1     0.03   0.06  -0.03    -0.08  -0.27   0.00    -0.23  -0.21   0.42
    20   1     0.05  -0.00   0.01    -0.38   0.01   0.09     0.02  -0.01  -0.33
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1504.3794              1513.1215              1786.0520
 Red. masses --      1.0664                 1.0739                10.8447
 Frc consts  --      1.4219                 1.4487                20.3825
 IR Inten    --      5.9725                 5.0046               212.6753
 RamAct Fr= 1--      1.1732                 3.0176                23.0949
  Dep-P Fr= 1--      0.4635                 0.6057                 0.4046
  Dep-U Fr= 1--      0.6334                 0.7544                 0.5761
 Alpha2 Fr= 1--      0.0068                 0.0080                 0.1683
 Beta2  Fr= 1--      0.1238                 0.3794                 2.2176
 AlphaG Fr= 1--     -0.0086                 0.0336                -0.0213
 Gamma2 Fr= 1--     -0.0777                 0.7260                 1.1747
 Delta2 Fr= 1--      0.1375                 0.3413                -0.2898
 Raman1 Fr= 1--       4.693                 12.070                 92.379
 ROA1   Fr= 1--      -3.059                 80.613                103.502
 CID1   Fr= 1--      -0.652                  6.679                  1.120
 Raman2 Fr= 1--       1.486                  4.553                 26.611
 ROA2   Fr= 1--      -2.965                 14.693                 30.512
 CID2   Fr= 1--      -1.995                  3.227                  1.147
 Raman3 Fr= 1--       2.972                  9.106                 53.223
 ROA3   Fr= 1--      -3.059                 80.613                103.502
 CID3   Fr= 1--      -1.029                  8.853                  1.945
 RC180  Fr= 1--       0.267                  0.509                  0.152
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.55  -0.40  -0.33
     2   6     0.01   0.01   0.00    -0.00  -0.01   0.00    -0.03   0.03   0.02
     3   6    -0.00   0.01  -0.01     0.01  -0.04   0.05    -0.01   0.01   0.00
     4   6    -0.03   0.03   0.02     0.01  -0.01   0.00     0.00  -0.00   0.00
     5   6    -0.02  -0.02   0.01    -0.02   0.02  -0.00    -0.02   0.01   0.00
     6   6     0.01  -0.01   0.02     0.00  -0.00   0.00    -0.04   0.02   0.03
     7   8     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.36   0.26   0.21
     8   1    -0.04  -0.05  -0.09     0.02   0.01   0.04     0.10  -0.25  -0.02
     9   1    -0.08  -0.06   0.05     0.02   0.04  -0.02    -0.06   0.11  -0.03
    10   1     0.02  -0.13   0.03    -0.05   0.53  -0.11     0.05  -0.04   0.00
    11   1     0.01   0.01   0.14    -0.09  -0.01  -0.52     0.03   0.02   0.02
    12   1     0.05  -0.19  -0.35    -0.00  -0.01   0.03     0.00  -0.01  -0.01
    13   1     0.36  -0.15   0.05    -0.02   0.03  -0.01     0.00   0.00  -0.00
    14   6    -0.03  -0.02   0.01    -0.03   0.02   0.01     0.00   0.00  -0.00
    15   1     0.01   0.04   0.07     0.03  -0.03   0.02     0.01  -0.02   0.03
    16   1    -0.06  -0.01  -0.18     0.01  -0.00   0.00     0.23   0.03  -0.14
    17   1    -0.02   0.17  -0.04    -0.00   0.00   0.00    -0.13  -0.02   0.03
    18   1    -0.17  -0.15  -0.19     0.14  -0.41   0.00     0.02  -0.03   0.00
    19   1     0.16   0.44  -0.10    -0.04   0.11   0.19    -0.01   0.01   0.04
    20   1     0.47  -0.01   0.07     0.32  -0.01  -0.26     0.01  -0.00  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3009.0785              3010.6625              3017.1934
 Red. masses --      1.0683                 1.0687                 1.0687
 Frc consts  --      5.6989                 5.7075                 5.7319
 IR Inten    --      0.7721                19.2033                19.0713
 RamAct Fr= 1--     43.7383               107.8022                68.9128
  Dep-P Fr= 1--      0.2111                 0.3259                 0.3438
  Dep-U Fr= 1--      0.3486                 0.4916                 0.5117
 Alpha2 Fr= 1--      0.5767                 1.0217                 0.6172
 Beta2  Fr= 1--      2.5410                 8.8321                 5.8771
 AlphaG Fr= 1--      1.4522                -0.5531                -0.5969
 Gamma2 Fr= 1--     -0.2356                -4.1420                13.3087
 Delta2 Fr= 1--      1.1582                -4.3609                 5.5002
 Raman1 Fr= 1--     174.953                431.209                275.651
 ROA1   Fr= 1--      14.447               -537.176               1453.642
 CID1   Fr= 1--       0.083                 -1.246                  5.273
 Raman2 Fr= 1--      30.492                105.985                 70.525
 ROA2   Fr= 1--     -14.919                -64.520                275.407
 CID2   Fr= 1--      -0.489                 -0.609                  3.905
 Raman3 Fr= 1--      60.985                211.970                141.050
 ROA3   Fr= 1--      14.447               -537.176               1453.642
 CID3   Fr= 1--       0.237                 -2.534                 10.306
 RC180  Fr= 1--      -0.303                 -0.017                  0.023
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     2   6    -0.02  -0.03  -0.05    -0.01  -0.01  -0.01    -0.01  -0.02  -0.02
     3   6     0.00   0.01   0.01     0.00   0.01   0.01     0.00   0.00   0.00
     4   6    -0.00   0.00   0.01     0.02  -0.03  -0.05    -0.01   0.01   0.02
     5   6     0.01   0.01  -0.01    -0.02  -0.01   0.02    -0.02  -0.01   0.02
     6   6     0.00  -0.00   0.03    -0.00   0.00  -0.00    -0.01   0.00  -0.06
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.14   0.06  -0.15     0.03   0.01  -0.03     0.07   0.03  -0.07
     9   1     0.15   0.33   0.76     0.03   0.07   0.17     0.07   0.16   0.36
    10   1    -0.01  -0.03  -0.11    -0.02  -0.04  -0.15    -0.01  -0.02  -0.05
    11   1     0.00  -0.04   0.00     0.01  -0.07  -0.00    -0.00   0.01   0.00
    12   1     0.05  -0.02   0.02    -0.31   0.09  -0.13     0.10  -0.03   0.05
    13   1    -0.01  -0.03  -0.09     0.08   0.27   0.73    -0.03  -0.10  -0.26
    14   6    -0.00  -0.00   0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
    15   1    -0.13  -0.06   0.13     0.28   0.14  -0.29     0.23   0.12  -0.24
    16   1    -0.01   0.12   0.01     0.00  -0.01   0.00     0.02  -0.24  -0.02
    17   1    -0.04  -0.12  -0.38     0.00   0.00   0.01     0.08   0.22   0.69
    18   1     0.02   0.01  -0.02    -0.06  -0.02   0.06    -0.04  -0.02   0.04
    19   1    -0.01   0.00  -0.00     0.02  -0.01   0.01    -0.00   0.00  -0.00
    20   1    -0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3029.8022              3033.1190              3038.0528
 Red. masses --      1.0699                 1.0482                 1.0603
 Frc consts  --      5.7868                 5.6816                 5.7661
 IR Inten    --     47.4115                15.1479                17.0666
 RamAct Fr= 1--    132.1758               233.2704               188.0930
  Dep-P Fr= 1--      0.2397                 0.0326                 0.0792
  Dep-U Fr= 1--      0.3867                 0.0632                 0.1468
 Alpha2 Fr= 1--      1.6120                 4.8014                 3.4639
 Beta2  Fr= 1--      8.5192                 2.4579                 4.6023
 AlphaG Fr= 1--      0.9649                 1.5256                -1.9288
 Gamma2 Fr= 1--      8.6872                -5.9951                -8.5689
 Delta2 Fr= 1--      4.2286                -2.9008                -8.5157
 Raman1 Fr= 1--     528.703                933.082                752.372
 ROA1   Fr= 1--     969.290               -668.355              -1095.116
 CID1   Fr= 1--       1.833                 -0.716                 -1.456
 Raman2 Fr= 1--     102.230                 29.495                 55.227
 ROA2   Fr= 1--     174.664               -120.676               -137.527
 CID2   Fr= 1--       1.709                 -4.091                 -2.490
 Raman3 Fr= 1--     204.460                 58.990                110.455
 ROA3   Fr= 1--     969.290               -668.355              -1095.116
 CID3   Fr= 1--       4.741                -11.330                 -9.915
 RC180  Fr= 1--      -0.227                 -0.874                 -0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01  -0.00   0.00
     3   6     0.00   0.00   0.01     0.00  -0.01   0.02    -0.01   0.03  -0.05
     4   6     0.00  -0.01  -0.02    -0.01   0.01   0.01     0.02  -0.00   0.02
     5   6     0.04   0.02  -0.04    -0.02  -0.01   0.02    -0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.03     0.00   0.00   0.02     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     8   1     0.00   0.00  -0.00    -0.03  -0.02   0.03     0.06   0.03  -0.06
     9   1     0.01   0.02   0.05    -0.01  -0.03  -0.07     0.01   0.02   0.05
    10   1    -0.02  -0.04  -0.15    -0.04  -0.08  -0.26     0.09   0.19   0.63
    11   1     0.00   0.01   0.00    -0.02   0.25   0.02     0.03  -0.50  -0.04
    12   1    -0.07   0.02  -0.03     0.14  -0.04   0.05    -0.27   0.08  -0.10
    13   1     0.02   0.10   0.26    -0.02  -0.07  -0.18    -0.01  -0.05  -0.12
    14   6    -0.01  -0.01  -0.02    -0.01  -0.01  -0.04    -0.01  -0.01  -0.02
    15   1    -0.47  -0.23   0.48     0.21   0.10  -0.21     0.05   0.02  -0.05
    16   1     0.01  -0.11  -0.01    -0.01   0.06   0.01    -0.00  -0.00  -0.00
    17   1     0.04   0.11   0.36    -0.03  -0.07  -0.23    -0.00  -0.01  -0.03
    18   1    -0.12  -0.05   0.12    -0.34  -0.13   0.35    -0.13  -0.05   0.13
    19   1     0.30  -0.10   0.10     0.41  -0.13   0.13     0.26  -0.09   0.08
    20   1    -0.00   0.30  -0.03     0.00   0.39  -0.04    -0.00   0.23  -0.02
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3058.8450              3072.3535              3094.3196
 Red. masses --      1.0924                 1.1031                 1.1012
 Frc consts  --      6.0222                 6.1351                 6.2125
 IR Inten    --     46.5471                46.5897                15.0190
 RamAct Fr= 1--    171.7718                77.5274                54.2483
  Dep-P Fr= 1--      0.1974                 0.4949                 0.6670
  Dep-U Fr= 1--      0.3297                 0.6621                 0.8002
 Alpha2 Fr= 1--      2.3488                 0.3920                 0.0800
 Beta2  Fr= 1--      9.4394                 8.5552                 7.2352
 AlphaG Fr= 1--     -1.3338                -0.7745                 0.2348
 Gamma2 Fr= 1--      9.9511               -31.5379                -7.5341
 Delta2 Fr= 1--      9.9077               -15.0494                -6.0501
 Raman1 Fr= 1--     687.087                310.110                216.993
 ROA1   Fr= 1--    1272.350              -3509.220               -916.881
 CID1   Fr= 1--       1.852                -11.316                 -4.225
 Raman2 Fr= 1--     113.272                102.662                 86.823
 ROA2   Fr= 1--     159.564               -636.514               -132.419
 CID2   Fr= 1--       1.409                 -6.200                 -1.525
 Raman3 Fr= 1--     226.545                205.325                173.646
 ROA3   Fr= 1--    1272.350              -3509.220               -916.881
 CID3   Fr= 1--       5.616                -17.091                 -5.280
 RC180  Fr= 1--      -0.341                  0.324                  0.600
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.03  -0.01    -0.00  -0.07  -0.05     0.00  -0.00  -0.00
     4   6    -0.07   0.01  -0.05    -0.01  -0.00  -0.02     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.03   0.01
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     8   1     0.02   0.01  -0.02     0.08   0.04  -0.08    -0.02  -0.01   0.02
     9   1    -0.00  -0.01  -0.02     0.02   0.04   0.10     0.00   0.00   0.00
    10   1     0.02   0.04   0.12     0.08   0.15   0.57     0.00   0.00   0.01
    11   1     0.02  -0.39  -0.02    -0.05   0.72   0.02    -0.00   0.01  -0.00
    12   1     0.76  -0.23   0.28     0.14  -0.04   0.05    -0.04   0.02  -0.02
    13   1     0.02   0.12   0.30     0.02   0.08   0.21    -0.00  -0.01  -0.01
    14   6     0.00  -0.00  -0.00    -0.01  -0.01   0.00     0.05  -0.06   0.01
    15   1     0.03   0.02  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    16   1     0.00  -0.02  -0.00     0.00  -0.02  -0.00     0.04  -0.38  -0.02
    17   1    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.01  -0.03  -0.11
    18   1    -0.04  -0.02   0.04     0.05   0.02  -0.06    -0.06  -0.04   0.08
    19   1     0.01  -0.00   0.00     0.06  -0.02   0.02    -0.60   0.18  -0.20
    20   1     0.00   0.06  -0.01    -0.00   0.08  -0.01     0.01   0.62  -0.05
                     52                     53                     54
                      A                      A                      A
 Frequencies --   3095.9944              3098.6575              3103.3695
 Red. masses --      1.1004                 1.0964                 1.0947
 Frc consts  --      6.2146                 6.2027                 6.2115
 IR Inten    --     23.2835                38.9040                19.9042
 RamAct Fr= 1--     20.9258               136.4037               116.4832
  Dep-P Fr= 1--      0.5093                 0.5282                 0.3142
  Dep-U Fr= 1--      0.6749                 0.6913                 0.4781
 Alpha2 Fr= 1--      0.0989                 0.5866                 1.1445
 Beta2  Fr= 1--      2.3537                15.7155                 9.2827
 AlphaG Fr= 1--     -0.0018                 0.1044                -0.1818
 Gamma2 Fr= 1--     15.7293                -3.7460                 5.9795
 Delta2 Fr= 1--     11.1824                 1.1886                 3.7681
 Raman1 Fr= 1--      83.703                545.615                465.933
 ROA1   Fr= 1--    1867.856               -321.575                694.609
 CID1   Fr= 1--      22.315                 -0.589                  1.491
 Raman2 Fr= 1--      28.245                188.587                111.393
 ROA2   Fr= 1--     288.045                -99.412                113.363
 CID2   Fr= 1--      10.198                 -0.527                  1.018
 Raman3 Fr= 1--      56.490                377.173                222.785
 ROA3   Fr= 1--    1867.856               -321.575                694.609
 CID3   Fr= 1--      33.065                 -0.853                  3.118
 RC180  Fr= 1--       0.350                  0.383                 -0.044
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.00   0.01    -0.01  -0.00   0.01    -0.05  -0.02   0.07
     3   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00   0.00   0.01
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.01   0.00  -0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00  -0.03  -0.01     0.00  -0.07  -0.02    -0.00   0.01   0.00
     7   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     8   1     0.08   0.04  -0.08     0.07   0.03  -0.06     0.67   0.30  -0.60
     9   1    -0.00  -0.00  -0.01    -0.01  -0.01  -0.02    -0.05  -0.10  -0.22
    10   1     0.02   0.03   0.11    -0.01  -0.01  -0.04    -0.02  -0.03  -0.12
    11   1    -0.00   0.06   0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.00
    12   1    -0.02   0.01  -0.01     0.00  -0.00   0.00    -0.02   0.00  -0.01
    13   1     0.00   0.01   0.02    -0.00  -0.00  -0.01    -0.00  -0.01  -0.02
    14   6     0.07   0.03  -0.04     0.00  -0.04   0.02    -0.01  -0.00   0.00
    15   1    -0.09  -0.04   0.10     0.04   0.02  -0.04     0.00   0.00  -0.00
    16   1    -0.03   0.27   0.01    -0.09   0.81   0.03     0.01  -0.13  -0.00
    17   1     0.01   0.02   0.09     0.03   0.06   0.23    -0.00  -0.01  -0.04
    18   1    -0.51  -0.19   0.54     0.14   0.04  -0.15     0.04   0.02  -0.04
    19   1    -0.34   0.12  -0.13    -0.15   0.04  -0.04     0.03  -0.01   0.01
    20   1     0.02  -0.35   0.02     0.00   0.42  -0.03    -0.00   0.01  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Molecular mass:   112.08882 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   657.85592 905.368791227.62861
           X            0.99548   0.09292   0.01983
           Y           -0.09289   0.99567  -0.00240
           Z           -0.01997   0.00054   0.99980
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.13166     0.09567     0.07055
 Rotational constants (GHZ):           2.74337     1.99338     1.47010
 Zero-point vibrational energy     469607.0 (Joules/Mol)
                                  112.23877 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    124.26   181.56   307.70   379.20   496.59
          (Kelvin)            524.43   617.60   669.38   713.47   803.68
                              976.89  1079.43  1136.59  1191.59  1267.48
                             1298.73  1378.84  1405.85  1413.54  1495.03
                             1534.73  1550.87  1622.34  1652.07  1725.74
                             1794.11  1798.28  1840.80  1884.23  1930.16
                             1957.49  1976.86  1989.39  2008.83  2045.09
                             2109.76  2121.83  2141.88  2156.30  2164.47
                             2177.04  2569.73  4329.39  4331.67  4341.07
                             4359.21  4363.98  4371.08  4401.00  4420.43
                             4452.04  4454.45  4458.28  4465.06
 
 Zero-point correction=                           0.178864 (Hartree/Particle)
 Thermal correction to Energy=                    0.186687
 Thermal correction to Enthalpy=                  0.187632
 Thermal correction to Gibbs Free Energy=         0.146815
 Sum of electronic and zero-point Energies=           -349.193398
 Sum of electronic and thermal Energies=              -349.185575
 Sum of electronic and thermal Enthalpies=            -349.184631
 Sum of electronic and thermal Free Energies=         -349.225447
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  117.148             30.256             85.906
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.058
 Rotational               0.889              2.981             28.082
 Vibrational            115.371             24.294             17.765
 Vibration     1          0.601              1.959              3.741
 Vibration     2          0.611              1.927              3.003
 Vibration     3          0.644              1.820              2.010
 Vibration     4          0.670              1.740              1.638
 Vibration     5          0.724              1.585              1.188
 Vibration     6          0.738              1.545              1.103
 Vibration     7          0.791              1.407              0.861
 Vibration     8          0.823              1.327              0.751
 Vibration     9          0.851              1.259              0.668
 Vibration    10          0.914              1.121              0.527
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.295050D-67        -67.530104       -155.493811
 Total V=0       0.551433D+15         14.741493         33.943541
 Vib (Bot)       0.206653D-80        -80.684759       -185.783522
 Vib (Bot)    1  0.238222D+01          0.376982          0.868033
 Vib (Bot)    2  0.161703D+01          0.208717          0.480588
 Vib (Bot)    3  0.927272D+00         -0.032793         -0.075509
 Vib (Bot)    4  0.735655D+00         -0.133326         -0.306994
 Vib (Bot)    5  0.536231D+00         -0.270648         -0.623190
 Vib (Bot)    6  0.501346D+00         -0.299863         -0.690459
 Vib (Bot)    7  0.406145D+00         -0.391319         -0.901045
 Vib (Bot)    8  0.364004D+00         -0.438894         -1.010591
 Vib (Bot)    9  0.332639D+00         -0.478026         -1.100696
 Vib (Bot)   10  0.278623D+00         -0.554983         -1.277895
 Vib (V=0)       0.386223D+02          1.586838          3.653830
 Vib (V=0)    1  0.293413D+01          0.467479          1.076410
 Vib (V=0)    2  0.219256D+01          0.340952          0.785071
 Vib (V=0)    3  0.155349D+01          0.191307          0.440501
 Vib (V=0)    4  0.138949D+01          0.142855          0.328935
 Vib (V=0)    5  0.123317D+01          0.091024          0.209591
 Vib (V=0)    6  0.120806D+01          0.082088          0.189015
 Vib (V=0)    7  0.114417D+01          0.058490          0.134679
 Vib (V=0)    8  0.111846D+01          0.048622          0.111957
 Vib (V=0)    9  0.110054D+01          0.041606          0.095801
 Vib (V=0)   10  0.107239D+01          0.030353          0.069890
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.466442D+08          7.668797         17.658058
 Rotational      0.306096D+06          5.485857         12.631653
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000013700   -0.000002233   -0.000003183
      2        6          -0.000004999    0.000039617   -0.000010300
      3        6          -0.000001861    0.000000296    0.000002682
      4        6           0.000011671   -0.000011962   -0.000004619
      5        6           0.000015039    0.000009010    0.000021512
      6        6          -0.000007476   -0.000006649   -0.000003266
      7        8          -0.000001107    0.000002105   -0.000006063
      8        1           0.000001493   -0.000004377    0.000000119
      9        1          -0.000001746   -0.000003527    0.000002594
     10        1           0.000000288    0.000004125    0.000002689
     11        1           0.000002883    0.000000809    0.000000402
     12        1           0.000004840    0.000001077    0.000001270
     13        1           0.000003678   -0.000002355    0.000001251
     14        6          -0.000000668   -0.000012361   -0.000001929
     15        1          -0.000003634    0.000003384   -0.000001910
     16        1          -0.000001401   -0.000001529    0.000004060
     17        1          -0.000000503   -0.000002970   -0.000001054
     18        1           0.000002630   -0.000010571    0.000003519
     19        1          -0.000001918   -0.000002124   -0.000007950
     20        1          -0.000003510    0.000000236    0.000000177
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000039617 RMS     0.000007845
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.912338D+02 -0.156010D+01 -0.239010D+01
      2  -0.156010D+01  0.887605D+02  0.429540D+00
      3  -0.239010D+01  0.429540D+00  0.770063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.808683D+00  0.394713D+01 -0.337690D+01
      2  -0.129948D+02 -0.298439D+00 -0.163009D+02
      3   0.109249D+02  0.108593D+02  0.143121D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.266785D+02 -0.192714D+02 -0.263963D+02
      2   0.155316D+02  0.208456D+02  0.142688D+01
      3   0.111469D+02 -0.157425D+01  0.249694D+02
      4  -0.294291D+01 -0.219480D+02 -0.186850D+01
      5  -0.231291D+02 -0.181131D+01 -0.343001D+02
      6   0.548423D+00 -0.279403D+01  0.788277D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.372022D+01  0.484062D+01  0.922311D+00  0.503658D+01 -0.151614D+01
      2   0.484062D+01 -0.289497D+00 -0.253763D+01 -0.151614D+01 -0.295642D+01
      3   0.922311D+00 -0.253763D+01  0.459141D+00 -0.228699D+01  0.168919D+01
                 6             7             8             9            10 
      1  -0.228699D+01  0.177029D+01 -0.286535D+01 -0.973898D-01 -0.552886D-01
      2   0.168919D+01 -0.286535D+01  0.116610D+01  0.198342D+01 -0.411745D+01
      3   0.190885D+01 -0.973898D-01  0.198342D+01  0.108262D+01  0.261587D+01
                11            12            13            14            15 
      1  -0.411745D+01  0.261587D+01 -0.372191D+01  0.489425D+00  0.818301D+00
      2  -0.325529D+00  0.652978D+00  0.489425D+00  0.266403D+01 -0.157633D+01
      3   0.652978D+00 -0.277937D+01  0.818301D+00 -0.157633D+01 -0.246914D+01
                16            17            18            19            20 
      1   0.423420D+01  0.517268D+00 -0.333909D+01 -0.313503D+01  0.329700D+01
      2   0.517268D+00 -0.172699D+01 -0.362014D+01  0.329700D+01 -0.535746D+00
      3  -0.333909D+01 -0.362014D+01 -0.319004D+01 -0.170524D+01 -0.113336D+00
                21            22            23            24            25 
      1  -0.170524D+01  0.209192D+01  0.971665D+00 -0.127859D+00 -0.205186D+01
      2  -0.113336D+00  0.971665D+00 -0.827970D+01  0.643764D+00  0.920444D-01
      3   0.170769D+01 -0.127859D+00  0.643764D+00  0.198919D+01  0.180756D+01
                26            27            28            29            30 
      1   0.920444D-01  0.180756D+01  0.655110D+01 -0.372953D+01  0.286391D+01
      2  -0.543943D+00  0.195934D+01 -0.372953D+01  0.235948D+00 -0.134042D+00
      3   0.195934D+01  0.616935D+01  0.286391D+01 -0.134042D+00 -0.886835D+00
                31            32            33            34            35 
      1  -0.343197D+01 -0.118184D+00  0.185197D-01  0.410833D+01 -0.366962D+00
      2  -0.118184D+00  0.426275D+01 -0.399959D+00 -0.366962D+00 -0.839023D+00
      3   0.185197D-01 -0.399959D+00 -0.281163D+01 -0.517562D+00 -0.377614D+01
                36            37            38            39            40 
      1  -0.517562D+00 -0.415892D+01  0.306489D+01 -0.374224D+01  0.432166D+01
      2  -0.377614D+01  0.306489D+01  0.102107D+01  0.619907D-01  0.901974D+00
      3  -0.593793D+01 -0.374224D+01  0.619907D-01  0.274986D+01 -0.169746D+00
                41            42            43            44            45 
      1   0.901974D+00 -0.169746D+00 -0.497283D+01 -0.126644D+00  0.360452D+01
      2  -0.481782D+01 -0.934008D-01 -0.126644D+00  0.275173D+00  0.383944D+01
      3  -0.934008D-01  0.336305D+01  0.360452D+01  0.383944D+01  0.113857D+01
                46            47            48            49            50 
      1   0.459166D+01 -0.286747D+01  0.152084D+01 -0.209268D+01 -0.190428D+01
      2  -0.286747D+01 -0.185016D+01  0.692307D+00 -0.190428D+01  0.768342D+01
      3   0.152084D+01  0.692307D+00 -0.139308D+01  0.373557D+00 -0.290453D+00
                51            52            53            54            55 
      1   0.373557D+00  0.119324D+01  0.189090D+00 -0.756927D+00  0.114099D+02
      2  -0.290453D+00  0.189090D+00  0.758757D+00 -0.231544D+01 -0.495544D+01
      3  -0.300295D+01 -0.756927D+00 -0.231544D+01 -0.576808D+01 -0.271074D+01
                56            57            58            59            60 
      1  -0.495544D+01 -0.271074D+01 -0.533017D+01  0.445346D+01  0.164669D+01
      2   0.301419D+01  0.139802D+01  0.445346D+01 -0.425605D+01 -0.204135D+01
      3   0.139802D+01  0.156532D+01  0.164669D+01 -0.204135D+01 -0.174890D+01
                61            62            63            64            65 
      1  -0.389034D+01  0.219400D+01  0.338155D+01  0.584751D+01  0.256525D+01
      2   0.219400D+01 -0.190906D+01 -0.270993D+01  0.256525D+01  0.210842D+01
      3   0.338155D+01 -0.270993D+01 -0.337210D+01 -0.247631D+01 -0.104064D+01
                66            67            68            69            70 
      1  -0.247631D+01  0.182237D+01  0.168943D+01 -0.573460D+00 -0.355434D+01
      2  -0.104064D+01  0.168943D+01  0.151347D+01 -0.923752D+00 -0.136442D+01
      3   0.189061D+01 -0.573460D+00 -0.923752D+00  0.963920D+00  0.250613D+01
                71            72            73            74            75 
      1  -0.136442D+01  0.250613D+01  0.844371D+00  0.166559D+01  0.102110D+01
      2  -0.156254D+01  0.178359D+01  0.166559D+01  0.580986D+00  0.534983D+00
      3   0.178359D+01 -0.251137D+01  0.102110D+01  0.534983D+00  0.102444D+01
                76            77            78            79            80 
      1   0.146314D+01  0.708340D+00  0.539936D+00  0.169487D+01  0.878573D+00
      2   0.708340D+00  0.240056D+01  0.196968D+01  0.878573D+00  0.341575D+01
      3   0.539936D+00  0.196968D+01  0.200620D+01  0.202921D+01  0.286377D+01
                81            82            83            84            85 
      1   0.202921D+01 -0.293460D+00 -0.494034D+00 -0.893426D+00 -0.861253D+00
      2   0.286377D+01 -0.494034D+00 -0.157941D+00  0.817705D-01 -0.477856D+00
      3   0.562911D+01 -0.893426D+00  0.817705D-01 -0.834148D+00 -0.203820D+00
                86            87            88            89            90 
      1  -0.477856D+00 -0.203820D+00 -0.153943D+01 -0.131697D+00 -0.122762D+01
      2   0.152520D+00 -0.107232D+01 -0.131697D+00 -0.128048D+01  0.268833D+00
      3  -0.107232D+01 -0.111807D+01 -0.122762D+01  0.268833D+00 -0.795574D+01
                91            92            93            94            95 
      1  -0.121392D+00  0.126599D+01  0.169206D+00  0.152314D+01 -0.110030D+01
      2   0.126599D+01 -0.725803D+00  0.471795D-01 -0.110030D+01  0.124906D+02
      3   0.169206D+00  0.471795D-01 -0.332793D+00  0.115936D+00 -0.126995D+01
                96            97            98            99           100 
      1   0.115936D+00  0.428825D+00 -0.223383D-01 -0.388420D+00 -0.961824D+01
      2  -0.126995D+01 -0.223383D-01  0.721959D-01  0.119845D+01  0.296124D+01
      3   0.891421D+00 -0.388420D+00  0.119845D+01 -0.793726D+00 -0.120019D+01
               101           102           103           104           105 
      1   0.296124D+01 -0.120019D+01  0.218833D+01 -0.202927D+01  0.148744D+00
      2  -0.228488D+01  0.276639D+00 -0.202927D+01  0.116684D+01 -0.369740D+00
      3   0.276639D+00 -0.103246D+01  0.148744D+00 -0.369740D+00  0.655464D+00
               106           107           108           109           110 
      1  -0.250081D+01  0.743120D+00 -0.138952D+01 -0.485517D+00  0.972840D+00
      2   0.743120D+00 -0.916619D+00  0.101367D+01  0.972840D+00  0.273829D+00
      3  -0.138952D+01  0.101367D+01 -0.304296D+00  0.778119D+00  0.513845D-01
               111           112           113           114           115 
      1   0.778119D+00  0.907480D+00 -0.133459D+00 -0.348642D+00  0.107832D+01
      2   0.513845D-01 -0.133459D+00  0.165903D+01  0.203815D+01 -0.268233D+00
      3   0.406827D+00 -0.348642D+00  0.203815D+01  0.235655D+01 -0.863064D+00
               116           117           118           119           120 
      1  -0.268233D+00 -0.863064D+00  0.481191D+01 -0.206515D+01  0.396350D+01
      2   0.284864D+01  0.307762D+01 -0.206515D+01 -0.451418D+00 -0.474689D+00
      3   0.307762D+01  0.776326D+01  0.396350D+01 -0.474689D+00 -0.154321D+01
               121           122           123           124           125 
      1  -0.293644D+01  0.352897D+00 -0.898136D+00  0.340404D+01 -0.513868D+00
      2   0.352897D+00  0.751291D+01 -0.141932D+00 -0.513868D+00 -0.138073D+01
      3  -0.898136D+00 -0.141932D+00 -0.257317D+01 -0.230206D+01 -0.282220D+01
               126           127           128           129           130 
      1  -0.230206D+01 -0.525811D+01 -0.204914D+01  0.321654D+01 -0.209403D+01
      2  -0.282220D+01 -0.204914D+01 -0.167550D+01  0.817272D+00 -0.181769D+01
      3  -0.312009D+00  0.321654D+01  0.817272D+00 -0.300831D+01  0.853303D+00
               131           132           133           134           135 
      1  -0.181769D+01  0.853303D+00  0.367837D+01  0.101375D+01 -0.326179D+01
      2  -0.113274D+01  0.133097D+01  0.101375D+01  0.141860D+01 -0.182958D+01
      3   0.133097D+01 -0.169798D+01 -0.326179D+01 -0.182958D+01  0.422026D+01
               136           137           138           139           140 
      1   0.210018D+00 -0.113267D+01 -0.116457D+00 -0.147322D+01  0.105096D+01
      2  -0.113267D+01  0.121229D+01 -0.346249D+00  0.105096D+01 -0.965913D+01
      3  -0.116457D+00 -0.346249D+00  0.261673D+00 -0.372994D+00  0.148956D+01
               141           142           143           144           145 
      1  -0.372994D+00 -0.386661D+00 -0.354343D-01  0.243210D+00 -0.487391D+00
      2   0.148956D+01 -0.354343D-01 -0.236609D+00 -0.100759D+01  0.528687D+00
      3  -0.122348D+01  0.243210D+00 -0.100759D+01  0.902155D+00  0.115639D+01
               146           147           148           149           150 
      1   0.528687D+00  0.115639D+01  0.126913D+01  0.386837D+00  0.201107D-01
      2   0.219127D+00 -0.176274D+00  0.386837D+00 -0.705769D-01  0.117704D+01
      3  -0.176274D+00  0.110037D+01  0.201107D-01  0.117704D+01  0.185326D+01
               151           152           153           154           155 
      1   0.146796D+01  0.106347D+00  0.835092D+00  0.219590D+01  0.796228D+00
      2   0.106347D+00  0.121150D+01  0.310334D+00  0.796228D+00  0.114292D+01
      3   0.835092D+00  0.310334D+00  0.959284D+01 -0.157556D+01  0.145004D+00
               156           157           158           159           160 
      1  -0.157556D+01  0.857250D+00  0.614732D+00 -0.414178D-01 -0.183784D+01
      2   0.145004D+00  0.614732D+00 -0.774066D-01 -0.592531D+00 -0.283151D+00
      3   0.267703D+01 -0.414178D-01 -0.592531D+00  0.892177D+00  0.144248D+01
               161           162           163           164           165 
      1  -0.283151D+00  0.144248D+01 -0.832974D+01  0.379538D+00 -0.335253D+01
      2  -0.982764D+00  0.233911D+00  0.379538D+00 -0.139965D+01 -0.374946D-01
      3   0.233911D+00 -0.461741D+01 -0.335253D+01 -0.374946D-01 -0.226799D+01
               166           167           168           169           170 
      1   0.182048D+01 -0.106174D+01  0.828433D+00 -0.221203D+01  0.182731D+00
      2  -0.106174D+01 -0.435411D-01 -0.393762D+00  0.182731D+00 -0.182059D+00
      3   0.828433D+00 -0.393762D+00  0.107748D+01 -0.181967D+01  0.331725D+00
               171           172           173           174           175 
      1  -0.181967D+01 -0.799091D+00 -0.926994D+00 -0.455086D+00 -0.135981D+01
      2   0.331725D+00 -0.926994D+00 -0.112645D+00  0.100826D+00 -0.146082D+01
      3  -0.173600D+01 -0.455086D+00  0.100826D+00  0.235234D+00 -0.340464D+00
               176           177           178           179           180 
      1  -0.146082D+01 -0.340464D+00 -0.112289D+00  0.611745D-01  0.113350D+00
      2  -0.102127D+02 -0.117286D+01  0.611745D-01  0.394096D+00 -0.783071D+00
      3  -0.117286D+01 -0.131225D+01  0.113350D+00 -0.783071D+00  0.525160D-03
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.750409D+01  0.911751D+01 -0.253229D+01  0.867448D+01 -0.161972D+01
      2  -0.874675D+01 -0.962034D+01 -0.159003D+01 -0.866438D+01  0.158201D+01
      3  -0.509263D+01 -0.762373D+01  0.335137D+01  0.120400D+01 -0.976459D+00
                 6             7             8             9            10 
      1   0.691975D+01 -0.170990D+01  0.144301D+02 -0.409901D+01 -0.691947D+01
      2   0.610378D-01 -0.121791D+02 -0.176299D+01  0.115684D+02  0.879210D+01
      3  -0.736732D+01  0.131135D+01 -0.111036D+02  0.195393D+01  0.129800D+02
                11            12            13            14            15 
      1  -0.150511D+00  0.303137D+01 -0.312406D+01  0.229599D+01 -0.141663D+01
      2   0.160524D+01 -0.279162D+01  0.258599D+01 -0.279787D+01 -0.247616D+01
      3  -0.845181D+01  0.275619D+01 -0.483708D+00 -0.477989D+01  0.472087D+01
                16            17            18            19            20 
      1   0.349190D+01  0.928946D+01  0.654786D+01  0.509572D+01 -0.165774D+01
      2  -0.887023D+01 -0.443075D+01 -0.543325D+01 -0.114526D+01  0.152306D+01
      3   0.428720D+01  0.308196D+01 -0.266374D+00 -0.844516D+01  0.945147D+01
                21            22            23            24            25 
      1  -0.259770D+01  0.162135D+01  0.219399D+01 -0.695543D+01 -0.306671D+01
      2   0.323709D+00 -0.899394D+00  0.419850D+01 -0.120165D+01 -0.525146D+01
      3  -0.525385D+01  0.934140D+01  0.176131D+01 -0.216350D+01 -0.536861D+01
                26            27            28            29            30 
      1  -0.103694D+01 -0.130545D+02 -0.563705D+01  0.570451D+00  0.104791D+01
      2  -0.118007D+00  0.408284D+00 -0.104998D+02  0.153349D+01  0.248311D+01
      3  -0.158179D+01  0.351721D+01  0.105492D+01 -0.863100D+01  0.366519D+01
                31            32            33            34            35 
      1   0.863754D+00  0.374649D+01  0.184803D+01  0.349254D+00  0.753703D+01
      2   0.179414D+01  0.706861D+00  0.485894D+01 -0.415145D+01  0.626478D+01
      3  -0.186130D+01  0.699970D+01  0.298429D-01  0.460187D+01 -0.145861D+01
                36            37            38            39            40 
      1   0.550590D+01 -0.224168D+00  0.541095D+00  0.989689D+00  0.124817D+01
      2   0.841626D+01  0.141922D+02 -0.104863D+01  0.138989D+01 -0.681733D+01
      3  -0.597370D+01  0.796943D+01 -0.505028D+01  0.259112D+01 -0.134633D+01
                41            42            43            44            45 
      1  -0.339684D+01 -0.132253D+01 -0.134400D+01  0.642689D+01  0.232751D+01
      2  -0.185298D+01 -0.320050D+01 -0.147887D+01 -0.417724D+01 -0.213352D+01
      3  -0.998067D+01  0.135959D+01  0.542031D+01  0.119162D+01  0.268213D+01
                46            47            48            49            50 
      1  -0.101795D+01 -0.354911D+01 -0.251055D+01 -0.367540D+01  0.851064D+01
      2  -0.895569D+01  0.459511D+01  0.697487D+00  0.617895D+01  0.180902D+01
      3  -0.384869D+01  0.459033D+01 -0.237384D+01  0.112563D+02 -0.276571D+01
                51            52            53            54            55 
      1  -0.849893D+01  0.400470D+00 -0.946665D+00 -0.890646D+01 -0.447455D+01
      2   0.170272D+01 -0.889688D+01  0.468140D+00 -0.231200D+01 -0.286159D+01
      3   0.115031D+01 -0.340618D+01  0.105417D+01  0.862314D+00  0.131705D+01
                56            57            58            59            60 
      1  -0.419440D+01  0.375952D+01 -0.135348D+01  0.199579D+00 -0.722253D+01
      2   0.414519D+01  0.979183D+01  0.443367D+01 -0.347211D+01 -0.398210D+01
      3  -0.892794D+01 -0.947240D+00  0.100649D+01  0.100033D+02  0.329638D+01
                61            62            63            64            65 
      1   0.133608D+01 -0.957006D+00 -0.648488D+00  0.321391D+01  0.119515D+01
      2   0.468650D+01 -0.122338D+01 -0.104348D+02 -0.237524D+01 -0.238725D+01
      3   0.736143D+00  0.859398D+01  0.952787D+00  0.505712D+01 -0.269094D+01
                66            67            68            69            70 
      1  -0.337479D+01  0.141474D+01  0.117825D+01 -0.270053D+01 -0.370516D+01
      2   0.489461D+01 -0.779171D+00 -0.107154D+01  0.191327D+01  0.241429D+01
      3  -0.154779D+01  0.194254D+01  0.544986D+00 -0.661685D-02 -0.359354D+01
                71            72            73            74            75 
      1  -0.576063D+00  0.364904D+01 -0.143386D+01 -0.101819D+01 -0.205133D+01
      2   0.250213D+01 -0.481674D+01  0.117480D+01  0.902164D+00  0.300564D+01
      3   0.138108D+01  0.531319D+00 -0.131687D+01  0.106683D+01  0.698390D+00
                76            77            78            79            80 
      1  -0.587410D+00 -0.161092D+01 -0.392186D+01 -0.301039D+01 -0.422875D+01
      2   0.390614D+00  0.209844D+01  0.301311D+01  0.125033D+01  0.553201D+01
      3   0.270512D+01 -0.222260D+01 -0.183882D+01  0.238147D+01 -0.237117D+01
                81            82            83            84            85 
      1  -0.961250D+01  0.189278D+01  0.991582D+00  0.202486D+01  0.132281D+01
      2   0.933566D+01  0.256190D-01 -0.583923D+00  0.680968D+00 -0.156367D+01
      3  -0.328220D+00 -0.578129D+00 -0.327888D+01 -0.156767D+01 -0.179030D+01
                86            87            88            89            90 
      1   0.329687D+01  0.311236D+01  0.268212D+01  0.437692D+01  0.160399D+02
      2  -0.707328D+00 -0.409359D-01 -0.360933D+01 -0.604971D+00  0.712891D+00
      3  -0.233155D+00 -0.260013D+00 -0.299572D+01 -0.852423D+00 -0.193554D+01
                91            92            93            94            95 
      1  -0.979066D+00  0.285907D+00  0.469389D+00 -0.548042D+00 -0.165854D+01
      2  -0.414253D-01  0.448882D+00  0.111335D+01  0.209076D+01 -0.200694D+01
      3   0.131975D+00  0.921654D+00  0.936524D+00  0.730819D+01 -0.275932D+00
                96            97            98            99           100 
      1  -0.420746D+01  0.341232D+00 -0.100714D+01  0.160236D+01  0.327048D+01
      2  -0.263197D+00 -0.191587D+00 -0.761964D+00 -0.225477D+00  0.630422D+01
      3  -0.297853D+00  0.170450D+01 -0.637853D+00 -0.542638D+00 -0.804178D+01
               101           102           103           104           105 
      1  -0.117032D+01  0.229580D+01 -0.120563D+01  0.956802D+00 -0.199085D+01
      2  -0.207735D+01  0.514193D+01 -0.109352D+01  0.145152D+01 -0.186425D+01
      3  -0.398220D+01 -0.921414D+00  0.104237D+01 -0.226229D+00 -0.603842D+00
               106           107           108           109           110 
      1   0.213675D+01 -0.475196D+00  0.113945D+01  0.456942D-01  0.691245D+00
      2   0.252529D+01 -0.230207D+01  0.180414D+01 -0.795149D+00 -0.636307D+00
      3  -0.271196D+01 -0.184207D+01  0.169293D+00  0.130287D+01  0.106344D+01
               111           112           113           114           115 
      1  -0.832496D+00  0.324083D+00 -0.583351D+00 -0.293252D+01  0.791894D+00
      2  -0.643384D-01 -0.681057D+00 -0.305417D+01 -0.329596D+01 -0.236515D+01
      3   0.692536D+00  0.290442D+01  0.190014D+01  0.254139D+01  0.189984D+01
               116           117           118           119           120 
      1   0.135792D+01 -0.809744D+01  0.942132D+01 -0.765335D-01 -0.283767D+01
      2  -0.428164D+01 -0.114888D+02 -0.353135D+01 -0.911287D+00  0.123223D+02
      3   0.428737D+01  0.332183D+01 -0.112134D+02  0.267515D+00 -0.733071D+01
               121           122           123           124           125 
      1  -0.304152D+01 -0.105428D+02 -0.733795D+01 -0.289392D+01 -0.171941D+01
      2  -0.640775D+00  0.778025D+00  0.405482D+01  0.706785D+01  0.502913D+01
      3   0.710827D+01  0.139070D+02  0.592912D+00 -0.611795D+01 -0.154536D+01
               126           127           128           129           130 
      1   0.365478D+01 -0.295409D+00 -0.201655D+01 -0.117520D+01 -0.147501D+01
      2  -0.205534D+01  0.590148D+00  0.255228D+00  0.323467D+01  0.156322D+01
      3  -0.202894D+01  0.107088D+01 -0.354063D+01 -0.136185D+01  0.503839D+00
               131           132           133           134           135 
      1  -0.658517D+00 -0.139270D+01  0.375016D+00  0.180583D+01  0.756239D+00
      2  -0.278868D+00  0.256542D+01 -0.191329D+01  0.184459D+01 -0.355896D+01
      3  -0.935568D+00  0.153006D+01 -0.318856D+01  0.254196D+01 -0.243164D+00
               136           137           138           139           140 
      1  -0.710347D+00  0.565800D+00  0.144630D+00  0.366683D+00 -0.991850D+01
      2  -0.747474D+00  0.856551D+00  0.137346D+01  0.203711D+01 -0.869398D+00
      3  -0.110665D+01 -0.908290D+00  0.792031D+00  0.527083D+01  0.208053D+01
               141           142           143           144           145 
      1  -0.268578D+01  0.553800D+00 -0.282079D+00 -0.259414D+00  0.135323D+01
      2  -0.298846D+00 -0.525058D+00 -0.277692D+00 -0.150316D+00  0.129342D+01
      3   0.298431D+00  0.712213D+00  0.843448D+00  0.276913D+00  0.101467D+01
               146           147           148           149           150 
      1   0.191903D+00  0.243497D+01 -0.416317D+00  0.128158D+01  0.387488D+01
      2  -0.520763D+00 -0.109100D+01 -0.179902D+01 -0.142734D-01 -0.394388D+00
      3  -0.172031D+01 -0.167265D+01 -0.184216D+00 -0.198044D+00 -0.946262D+00
               151           152           153           154           155 
      1   0.693951D+00  0.434294D+01  0.124596D+02 -0.431964D+01 -0.315203D+01
      2  -0.330459D+01  0.307010D+00 -0.625951D-01  0.823543D+01  0.168429D+01
      3  -0.136782D+01 -0.452766D+00 -0.217296D+01 -0.216252D+01 -0.724629D+00
               156           157           158           159           160 
      1   0.417086D+01 -0.176360D+01 -0.236164D+01  0.159636D+01  0.364096D+01
      2  -0.588442D+01  0.210831D+01  0.228591D+01 -0.171382D+01 -0.801931D+01
      3   0.242788D+01  0.466770D+00 -0.855456D+00 -0.761408D+00  0.214552D+01
               161           162           163           164           165 
      1   0.423821D+01 -0.699286D+01 -0.560839D+01  0.255796D+01 -0.284472D+01
      2  -0.164625D+01  0.938990D+01 -0.290264D+01  0.107676D+01  0.357879D+01
      3  -0.379022D+00 -0.207350D+01  0.112693D+02 -0.621125D+01  0.407716D+01
               166           167           168           169           170 
      1   0.191812D+01 -0.102927D+01  0.959759D+00 -0.241060D+01  0.197807D+01
      2   0.692968D+00 -0.142265D+00 -0.176109D+01 -0.152217D+01 -0.699195D+00
      3  -0.341987D+01  0.202178D+01 -0.132798D+01  0.349388D+01 -0.122233D+01
               171           172           173           174           175 
      1  -0.266087D+01 -0.177347D+00  0.276769D+00  0.387760D+00  0.630820D+00
      2   0.216251D+01  0.799875D+00 -0.624849D+00 -0.106798D+00 -0.937409D+00
      3   0.308598D+01 -0.583046D+00 -0.108981D-03  0.773185D+00  0.264043D+01
               176           177           178           179           180 
      1   0.950465D+01 -0.422901D+01  0.567892D+00 -0.173318D+00  0.864324D+00
      2   0.135745D+01  0.232357D+01 -0.128106D+01  0.111839D+01  0.690304D-01
      3  -0.165490D+02 -0.114136D+01  0.560538D-01  0.471397D+00 -0.178866D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.228498D+02  0.131760D+02 -0.175244D+01  0.216156D+02 -0.817770D+01
      2   0.845899D+01 -0.376184D+01 -0.332394D+01 -0.150616D+02  0.196069D+01
      3   0.143908D+02 -0.941414D+01  0.507638D+01 -0.655403D+01  0.621701D+01
      4   0.252796D+02 -0.120217D+02 -0.860884D+01 -0.161190D+02  0.726483D+00
      5   0.906522D+01 -0.600483D+01 -0.377195D+01 -0.924205D+01  0.523384D+01
      6  -0.445402D+01  0.755093D+01  0.260602D+01  0.621747D+00 -0.447508D+01
                 6             7             8             9            10 
      1  -0.867226D+01  0.146000D+02 -0.960921D+01 -0.240324D+01 -0.801122D+00
      2   0.462288D+01 -0.678353D+01  0.167450D+01 -0.323900D+01 -0.251347D+01
      3   0.404939D+01 -0.781646D+01  0.793471D+01  0.564224D+01  0.331460D+01
      4   0.362499D+01 -0.132909D+02  0.116619D+02  0.100499D+02 -0.115541D+02
      5   0.850765D+01  0.244961D+01  0.531327D+01  0.125114D+02  0.109541D+02
      6  -0.730341D+01  0.394235D+01 -0.219355D+01  0.508487D+00  0.942217D+01
                11            12            13            14            15 
      1  -0.870582D+01  0.948404D+01 -0.676762D+01 -0.257978D+01  0.594534D+01
      2   0.516353D+01 -0.505956D+01  0.396016D+01  0.120292D+02 -0.363560D+01
      3   0.354229D+01 -0.442448D+01  0.280746D+01 -0.944937D+01 -0.230974D+01
      4  -0.910283D+01  0.856744D+01 -0.213908D+01 -0.167936D+01 -0.275435D+01
      5   0.624345D+01 -0.105892D+02  0.450347D+01 -0.205204D+01 -0.880990D+01
      6  -0.157796D+01 -0.756229D+01  0.159162D+01 -0.261804D+01 -0.594728D+01
                16            17            18            19            20 
      1   0.874102D+01  0.900398D+01 -0.140815D+00 -0.453087D+01 -0.154345D+01
      2  -0.436253D+01 -0.487875D+01 -0.149636D+01  0.706358D+01  0.311342D+01
      3  -0.437849D+01 -0.412523D+01  0.163718D+01 -0.253271D+01 -0.156997D+01
      4   0.100424D+02 -0.675169D+01 -0.193518D+02 -0.484183D+01 -0.710469D+00
      5  -0.125696D+02 -0.130674D+02 -0.672895D+01  0.163598D+01 -0.169069D+01
      6  -0.104245D+02 -0.143661D+02 -0.132691D+02 -0.719102D+01  0.134082D+00
                21            22            23            24            25 
      1   0.204216D+01 -0.189179D+01  0.276621D+02 -0.896964D-01  0.286258D+01
      2   0.190092D+00  0.517571D+01 -0.506897D+02  0.538294D+01  0.774172D+00
      3  -0.223226D+01 -0.328391D+01  0.230276D+02 -0.529325D+01 -0.363676D+01
      4  -0.409031D+01  0.509930D+01  0.115278D+02 -0.160465D+01 -0.445362D+01
      5  -0.124194D+01 -0.361605D+00 -0.103127D+01 -0.573089D+00  0.915331D+00
      6   0.499974D+01 -0.224677D+01  0.859265D+01  0.710017D+01  0.402978D+01
                26            27            28            29            30 
      1   0.410349D+00  0.490179D+01 -0.234896D+02  0.142230D+02 -0.978920D+01
      2  -0.231762D+00  0.117071D+02  0.513051D+01 -0.760313D+01  0.649536D+01
      3  -0.178588D+00 -0.166089D+02  0.183591D+02 -0.661988D+01  0.329383D+01
      4   0.138597D+01  0.276469D+01  0.213476D+02 -0.698508D+01  0.577179D+01
      5  -0.556178D+00 -0.481343D+01 -0.967426D+01  0.549119D+00  0.361158D+01
      6   0.710596D+01  0.173531D+02  0.322293D+01  0.726586D+00 -0.273903D+01
                31            32            33            34            35 
      1   0.972243D+01 -0.258350D+01  0.572822D+01 -0.114820D+02  0.644975D+01
      2  -0.498621D+01  0.845286D+01  0.109247D+01  0.590861D+01  0.375194D+01
      3  -0.473622D+01 -0.586935D+01 -0.682069D+01  0.557337D+01 -0.102017D+02
      4  -0.862327D+01 -0.651693D+01  0.945135D+00  0.951490D+01  0.346182D+01
      5   0.198036D+00 -0.222219D+01  0.657493D+01  0.103997D+01  0.937242D+01
      6  -0.772802D+00 -0.264791D+01 -0.942318D+01  0.880103D+00 -0.942903D+01
                36            37            38            39            40 
      1   0.107583D+02 -0.206810D+00 -0.905483D+01  0.146060D+02 -0.551736D+01
      2   0.265651D+00  0.252878D+01  0.547632D+01 -0.102154D+02  0.386682D+01
      3  -0.110240D+02 -0.232197D+01  0.357851D+01 -0.439056D+01  0.165055D+01
      4   0.104739D+02 -0.739907D+01 -0.553917D+01  0.632126D+01 -0.744905D+01
      5   0.126367D+02  0.189569D+02  0.584820D+01 -0.147411D+02  0.243207D+01
      6  -0.203451D+02  0.889571D+01 -0.146137D-02 -0.586926D+01  0.321702D+01
                41            42            43            44            45 
      1  -0.545293D+01 -0.125703D+01  0.113738D+02  0.218588D+01 -0.107736D+02
      2   0.777153D+01 -0.549452D+00 -0.898440D+01 -0.582277D+01  0.343275D+01
      3  -0.231859D+01  0.180648D+01 -0.238940D+01  0.363688D+01  0.734088D+01
      4   0.536460D+01  0.196811D+01  0.478777D+01 -0.220592D+01 -0.164211D+02
      5   0.439576D+01 -0.101543D+02 -0.157910D+02 -0.134178D+02  0.513309D+01
      6   0.311257D+00 -0.667795D+01 -0.916499D+01 -0.541052D+01  0.245323D+01
                46            47            48            49            50 
      1   0.164238D+01 -0.514240D+01  0.236884D+01 -0.248377D+01  0.144213D+02
      2  -0.151680D+01  0.699328D+01  0.365669D+01  0.398080D+01 -0.264048D+02
      3  -0.125584D+00 -0.185088D+01 -0.602554D+01 -0.149703D+01  0.119835D+02
      4  -0.603154D+01  0.385470D+00 -0.204784D+00  0.312211D+01  0.862003D+01
      5  -0.477271D+01 -0.548499D+00  0.279625D+01 -0.449867D+00 -0.263976D+01
      6  -0.514492D+01 -0.426726D+01  0.276076D+01 -0.273359D+01  0.981639D+01
                51            52            53            54            55 
      1   0.638216D+01 -0.289797D+01  0.482591D+01  0.168858D+02  0.606147D+02
      2   0.702546D+01  0.183916D+01  0.178438D+01  0.130779D+02 -0.278160D+02
      3  -0.134076D+02  0.105881D+01 -0.661029D+01 -0.299637D+02 -0.327988D+02
      4  -0.445973D+00  0.217210D+00 -0.388244D+00 -0.275898D+00 -0.360031D+02
      5   0.384915D+00  0.403708D+01 -0.432678D+00 -0.699717D+01 -0.135718D+02
      6   0.487220D+01  0.527926D+00  0.467961D+01  0.325361D+01  0.553569D+01
                56            57            58            59            60 
      1  -0.171774D+02 -0.827038D+01 -0.201337D+02  0.901087D+01  0.239353D+01
      2   0.431325D+01  0.690535D+01  0.609359D+01  0.456181D+01 -0.308625D+00
      3   0.128642D+02  0.136503D+01  0.140401D+02 -0.135727D+02 -0.208490D+01
      4   0.268103D+02  0.779598D+01  0.309244D+02 -0.248040D+02 -0.820274D+01
      5   0.572451D+01  0.162263D+02  0.810128D+01 -0.684563D+01 -0.100874D+02
      6  -0.364983D+01 -0.626357D+01 -0.423663D+01  0.823241D+01  0.109909D+02
                61            62            63            64            65 
      1  -0.130891D+02  0.413807D+01  0.522961D+01  0.210530D+02  0.599065D+01
      2   0.978220D+01 -0.618654D+00 -0.831551D+01 -0.885037D+01  0.641736D-02
      3   0.330691D+01 -0.351942D+01  0.308590D+01 -0.122026D+02 -0.599707D+01
      4   0.131534D+02 -0.992702D+01 -0.132120D+02  0.234779D+02  0.155447D+02
      5   0.201318D+02 -0.116038D+02 -0.188317D+02 -0.138953D+02 -0.584589D+01
      6  -0.843413D+01  0.121264D+02  0.753341D+01 -0.776568D+01 -0.415256D+01
                66            67            68            69            70 
      1  -0.721400D+01  0.120928D+01  0.210075D+00  0.596989D+00 -0.818334D+01
      2   0.421338D+01  0.396207D+01  0.441099D+01 -0.279191D+01  0.520302D+01
      3   0.300062D+01 -0.517134D+01 -0.462106D+01  0.219492D+01  0.298032D+01
      4  -0.970030D+01  0.125828D+02  0.109215D+02 -0.534291D+01 -0.134789D+02
      5   0.109886D+02 -0.307757D+01 -0.454528D+01  0.362877D+01  0.131625D+02
      6   0.638508D+01 -0.386736D+01 -0.514022D+01  0.611486D+01  0.822497D+01
                71            72            73            74            75 
      1  -0.117543D+01  0.189876D+01  0.120296D+01  0.330442D+01  0.198921D+01
      2  -0.134856D+01 -0.373174D+01  0.202123D+00 -0.102466D+01 -0.182572D+01
      3   0.252399D+01  0.183298D+01 -0.140508D+01 -0.227976D+01 -0.163484D+00
      4  -0.891937D+01  0.112936D+02  0.758914D+01  0.781139D+01  0.538752D+01
      5   0.777307D+01 -0.121058D+02  0.530654D+01  0.291703D+01  0.745123D+01
      6   0.787946D+01 -0.810754D+01  0.431843D+01  0.294857D+01  0.384008D+01
                76            77            78            79            80 
      1   0.144544D+01 -0.646925D+01 -0.447941D+01  0.256996D+01 -0.697631D+01
      2   0.734662D+00  0.825776D+01  0.496605D+01 -0.230460D+01  0.626341D+01
      3  -0.218010D+01 -0.178851D+01 -0.486639D+00 -0.265354D+00  0.712903D+00
      4   0.689604D+01  0.952553D+01  0.754327D+01  0.825223D+01  0.136264D+02
      5   0.194362D+01  0.613741D+01  0.586281D+01  0.973262D+01  0.103011D+02
      6   0.349259D+01  0.101446D+02  0.114481D+02  0.765925D+01  0.155360D+02
                81            82            83            84            85 
      1  -0.701075D+01  0.158851D+01  0.452793D+00 -0.217830D+00  0.147131D+00
      2  -0.150848D+01 -0.483008D+01 -0.104603D+01 -0.106923D+01 -0.154642D+01
      3   0.851923D+01  0.324157D+01  0.593241D+00  0.128707D+01  0.139929D+01
      4   0.143455D+02 -0.708302D+00  0.205560D+01 -0.186688D+01 -0.284992D+00
      5   0.182469D+02  0.231103D+01  0.526284D+00  0.741047D+01  0.620016D+00
      6   0.220852D+02 -0.157880D+01  0.115712D+01 -0.282226D+01  0.736000D+00
                86            87            88            89            90 
      1  -0.312968D+01  0.154763D+00 -0.143571D+01  0.315552D+01 -0.164009D+02
      2   0.281801D+01 -0.495836D+01 -0.251624D+01 -0.439176D+01 -0.141197D+02
      3   0.311663D+00  0.480359D+01  0.395194D+01  0.123625D+01  0.305205D+02
      4  -0.653137D+00  0.114608D+01 -0.359862D+01  0.174545D+01 -0.189108D+01
      5   0.112775D+01  0.888424D+00  0.516005D+01  0.276752D-01  0.749856D+01
      6  -0.224182D+01  0.391775D+00 -0.306651D+01  0.577641D+01 -0.227774D+02
                91            92            93            94            95 
      1  -0.220010D+01  0.127290D+01 -0.338069D+00  0.294170D+01 -0.431344D+02
      2   0.681808D+01 -0.375565D+01  0.116023D+00 -0.561760D+01  0.766554D+02
      3  -0.461798D+01  0.248275D+01  0.222046D+00  0.267590D+01 -0.335211D+02
      4  -0.206957D+01  0.111419D+02 -0.531730D+00  0.926840D+01 -0.119816D+02
      5   0.107608D+00 -0.169649D+01  0.175838D+01 -0.134561D+01  0.235728D+01
      6  -0.162579D+00  0.472145D+00 -0.846092D+00  0.124617D+01 -0.137619D+02
                96            97            98            99           100 
      1   0.462092D+01 -0.270694D+00  0.582346D+00 -0.542196D+01  0.452727D+02
      2  -0.620882D+01 -0.386185D+00  0.801646D+00  0.535408D+01 -0.186803D+02
      3   0.158790D+01  0.656879D+00 -0.138399D+01  0.678783D-01 -0.265924D+02
      4   0.108525D+01  0.655349D+00 -0.161572D+00 -0.140230D+01 -0.317223D+02
      5  -0.876172D+00  0.104501D+01 -0.789196D+00  0.635078D+00  0.343377D+01
      6   0.858879D+01 -0.144332D+01  0.974286D+01 -0.303928D+01 -0.710915D+00
               101           102           103           104           105 
      1  -0.107090D+02  0.548738D+01 -0.638815D+01  0.513901D+01 -0.835872D+00
      2   0.912642D+00 -0.224100D+01 -0.170481D+01  0.168517D+01 -0.101212D+01
      3   0.979640D+01 -0.324638D+01  0.809296D+01 -0.682418D+01  0.184800D+01
      4   0.173191D+02 -0.355539D+01  0.162896D+02 -0.103118D+02  0.216211D+01
      5  -0.473212D+00  0.681347D+01 -0.504461D+00  0.157143D+01 -0.222257D+01
      6  -0.228532D+00 -0.273977D+01  0.151369D+00 -0.854484D+00  0.332598D+01
               106           107           108           109           110 
      1   0.921270D+01 -0.256045D+01  0.347290D+01  0.139444D+01 -0.384321D+01
      2  -0.382647D+01 -0.121959D+01 -0.244767D+01 -0.140650D+01  0.230004D+01
      3  -0.538623D+01  0.378004D+01 -0.102523D+01  0.120642D-01  0.154317D+01
      4  -0.837595D+01  0.456882D+01 -0.548747D+01 -0.337518D+01  0.289033D+01
      5   0.846922D+01 -0.384673D+01  0.311022D+01 -0.160939D+01  0.169382D+01
      6  -0.350970D+01  0.363414D+01 -0.532115D+00  0.271239D+01  0.545938D+00
               111           112           113           114           115 
      1  -0.245432D+01 -0.194108D+01 -0.715820D+01 -0.632048D+01 -0.153368D+01
      2   0.117185D+01  0.102538D+01  0.535424D+01  0.354031D+01  0.202077D+01
      3   0.128247D+01  0.915701D+00  0.180396D+01  0.278017D+01 -0.487094D+00
      4   0.226155D+01  0.444605D+01 -0.442766D+01 -0.585607D+01  0.412003D+01
      5   0.425201D+01  0.223174D+01 -0.475061D+01 -0.549561D+01  0.694507D+01
      6   0.195994D+01 -0.153090D+01  0.106173D+02  0.140022D+02 -0.340460D+01
               116           117           118           119           120 
      1  -0.801410D+01 -0.155217D+02 -0.231090D+02  0.813472D+01 -0.232519D+02
      2   0.213161D+01 -0.818143D+01  0.233484D+02 -0.416369D+01  0.684762D+01
      3   0.588249D+01  0.237032D+02 -0.239372D+00 -0.397103D+01  0.164043D+02
      4  -0.845365D+01 -0.103559D+02  0.866435D+00  0.511171D+01 -0.506335D+01
      5  -0.858401D+01 -0.200305D+02 -0.210741D+02  0.442536D+01 -0.381009D+01
      6   0.144743D+02  0.260707D+02 -0.283709D+01  0.338816D+00  0.537579D+01
               121           122           123           124           125 
      1   0.135433D+02  0.144520D+02  0.126364D+01 -0.203620D+02 -0.185006D+01
      2  -0.103975D+02 -0.335518D+02 -0.631518D+01  0.738943D+01 -0.132038D+01
      3  -0.314585D+01  0.190997D+02  0.505155D+01  0.129726D+02  0.317044D+01
      4   0.374537D+01 -0.225670D+02  0.120822D+01 -0.422558D+01  0.470360D+01
      5   0.755856D+01  0.766356D+00  0.696430D+01 -0.210148D+01  0.851807D+01
      6   0.164241D+00 -0.798965D+01  0.709517D+01  0.673563D+01  0.683500D+01
               126           127           128           129           130 
      1   0.323744D+01  0.209001D+02  0.600724D+01 -0.107087D+02  0.465000D+01
      2   0.435372D+01 -0.148081D+02 -0.360857D+01  0.981287D+01 -0.132121D+01
      3  -0.759116D+01 -0.609199D+01 -0.239867D+01  0.895860D+00 -0.332879D+01
      4   0.134669D+02  0.151149D+02  0.103744D+02 -0.799806D+01  0.116207D+02
      5   0.481564D+01 -0.220714D+02 -0.664625D+01  0.188816D+02 -0.637024D+01
      6   0.413294D+01 -0.777562D+01 -0.416263D+01  0.721393D+01 -0.529871D+01
               131           132           133           134           135 
      1   0.223271D+01 -0.997812D+00 -0.887154D+01 -0.131764D+01  0.465293D+01
      2   0.520311D-01  0.378449D+00  0.104467D+02  0.275606D+01 -0.121491D+02
      3  -0.228475D+01  0.619363D+00 -0.157513D+01 -0.143842D+01  0.749615D+01
      4   0.806336D+01 -0.677270D+01 -0.892459D+01 -0.630256D+01  0.976354D+01
      5  -0.754486D+01  0.731701D+01  0.201986D+02  0.853665D+01 -0.221917D+02
      6  -0.599955D+01  0.834108D+01  0.756481D+01  0.711594D+01 -0.104826D+02
               136           137           138           139           140 
      1  -0.312115D+00  0.180017D+01 -0.877439D+00  0.128470D+01 -0.259533D+02
      2   0.411311D+01 -0.404317D+01  0.462181D+00 -0.268146D+01  0.421080D+02
      3  -0.380100D+01  0.224300D+01  0.415258D+00  0.139676D+01 -0.161547D+02
      4  -0.223242D+01  0.955331D+01 -0.133661D+01  0.682145D+01 -0.730272D+01
      5   0.803757D+00 -0.326345D+01  0.218331D+01 -0.240945D+01  0.306403D+01
      6  -0.184139D+01  0.226358D+01 -0.105870D+01  0.272924D+01 -0.184642D+02
               141           142           143           144           145 
      1   0.523994D+01 -0.512624D+00  0.501285D+00 -0.506984D+01 -0.622743D+00
      2  -0.471668D+01 -0.380157D+00  0.200428D+01  0.230955D+01 -0.447495D+01
      3  -0.523257D+00  0.892780D+00 -0.250557D+01  0.276029D+01  0.509769D+01
      4   0.172258D+01  0.842045D-01 -0.956681D+00 -0.735408D+00  0.104564D+01
      5  -0.136450D+01  0.776364D+00 -0.492765D+00  0.841298D+00  0.293000D+01
      6   0.921185D+01 -0.799048D+00  0.708783D+01 -0.299777D+01 -0.469464D+00
               146           147           148           149           150 
      1   0.876149D+00 -0.178747D+01  0.133188D+01 -0.400575D+01 -0.454757D+01
      2  -0.357194D+00 -0.269071D+01 -0.800482D+00 -0.492288D-01 -0.581926D+01
      3  -0.518956D+00  0.447818D+01 -0.531397D+00  0.405498D+01  0.103668D+02
      4   0.128183D+01 -0.190730D+01 -0.348070D+00 -0.831853D-01  0.716212D+00
      5   0.430621D+00  0.874722D+01  0.148160D+01  0.945336D+00  0.210391D+01
      6   0.124412D+01 -0.189543D+01  0.831816D+00  0.410965D-01  0.389082D+01
               151           152           153           154           155 
      1   0.300262D+00  0.568598D+00 -0.274046D+02 -0.341799D+01 -0.499221D+00
      2  -0.245019D+01 -0.291366D+01 -0.217279D+02 -0.365631D+01 -0.133904D+01
      3   0.214993D+01  0.234506D+01  0.491325D+02  0.707430D+01  0.183826D+01
      4  -0.247513D+01  0.683493D+00 -0.149544D+01 -0.628654D+01 -0.247393D+01
      5   0.609306D+01  0.150190D+00  0.868576D+01 -0.247271D+01 -0.167278D+01
      6  -0.103570D+01  0.563274D+01 -0.123799D+02  0.152198D+01 -0.320275D+01
               156           157           158           159           160 
      1   0.107901D+02 -0.271377D+01 -0.447253D+01  0.765401D+00  0.967726D+01
      2   0.186856D+01  0.110662D+01  0.376185D+01  0.313938D+01  0.830095D+00
      3  -0.126587D+02  0.160715D+01  0.710679D+00 -0.390478D+01 -0.105074D+02
      4   0.328126D+01 -0.123670D+01  0.420410D+00  0.999788D+00  0.497339D+01
      5   0.491959D+00 -0.188455D+01 -0.276970D+00 -0.213102D+01  0.413671D+01
      6  -0.590338D+01 -0.150842D+01  0.551880D+00  0.132963D+01 -0.212158D+01
               161           162           163           164           165 
      1   0.441445D+00 -0.146912D+02  0.473057D+02 -0.420189D+01  0.139775D+02
      2   0.238393D+01 -0.875813D+01 -0.312275D+02  0.475003D+01 -0.125565D+02
      3  -0.282537D+01  0.234494D+02 -0.160782D+02 -0.548139D+00 -0.142100D+01
      4   0.235394D+01 -0.458531D+01  0.114514D+02  0.766169D+01  0.510712D+01
      5   0.185979D+00  0.392661D+01  0.286342D+02 -0.977961D+00  0.179403D+02
      6   0.364496D+01  0.794328D+01  0.303788D+01  0.389736D+01  0.308718D+01
               166           167           168           169           170 
      1  -0.105677D+02  0.378740D+01 -0.298244D+01  0.102509D+02 -0.209518D+00
      2   0.828013D+01 -0.324511D+00  0.408831D+01 -0.102003D+02  0.130331D+01
      3   0.228760D+01 -0.346289D+01 -0.110587D+01 -0.505653D-01 -0.109379D+01
      4   0.460889D+01 -0.297387D-01  0.154877D+01  0.347800D+01  0.133178D+01
      5  -0.647663D+01  0.325089D+01 -0.515692D+01  0.157930D+02 -0.167525D+01
      6   0.228243D+01 -0.393969D+00  0.576923D+00  0.206577D+01  0.154034D+01
               171           172           173           174           175 
      1   0.629059D+01  0.221074D+01  0.355915D+01  0.272974D+01  0.155354D+01
      2  -0.997587D+01  0.129422D+01 -0.128591D+01 -0.116445D+01  0.385119D+01
      3   0.368528D+01 -0.350496D+01 -0.227324D+01 -0.156529D+01 -0.540473D+01
      4   0.108942D+01  0.449136D+01  0.765194D+01  0.799179D+00  0.120088D+02
      5   0.117504D+02  0.261249D+01  0.891220D+00  0.160801D+01  0.305164D+01
      6   0.194566D+01  0.126431D+01 -0.362433D-01 -0.528720D+00  0.274083D+01
               176           177           178           179           180 
      1  -0.229723D+02 -0.319468D+01  0.643587D+00 -0.836761D+00 -0.382704D+01
      2   0.494878D+02  0.265248D+01 -0.406081D+00 -0.239554D+01  0.381259D+01
      3  -0.265156D+02  0.542200D+00 -0.237506D+00  0.323231D+01  0.144512D-01
      4   0.336272D+02  0.391879D+01 -0.455595D+00 -0.145647D+01  0.196627D+01
      5   0.305853D+01  0.463881D+01  0.160982D+01  0.272722D+01 -0.482609D+00
      6   0.167087D+02  0.907775D+01  0.213409D+00  0.734778D+01  0.108057D+01
 Leave Link  716 at Fri Jul 16 13:26:37 2021, MaxMem=  5637144576 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.912338D+02 -0.156010D+01 -0.239010D+01
      2  -0.156010D+01  0.887605D+02  0.429540D+00
      3  -0.239010D+01  0.429540D+00  0.770063D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.808683D+00  0.394713D+01 -0.337690D+01
      2  -0.129948D+02 -0.298439D+00 -0.163009D+02
      3   0.109249D+02  0.108593D+02  0.143121D+01
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1  -0.266785D+02 -0.192714D+02 -0.263963D+02
      2   0.155316D+02  0.208456D+02  0.142688D+01
      3   0.111469D+02 -0.157425D+01  0.249694D+02
      4  -0.294291D+01 -0.219480D+02 -0.186850D+01
      5  -0.231291D+02 -0.181131D+01 -0.343001D+02
      6   0.548423D+00 -0.279403D+01  0.788277D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    60 ND12= 1 LenFil=    2163:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.372022D+01  0.484062D+01  0.922311D+00  0.503658D+01 -0.151614D+01
      2   0.484062D+01 -0.289497D+00 -0.253763D+01 -0.151614D+01 -0.295642D+01
      3   0.922311D+00 -0.253763D+01  0.459141D+00 -0.228699D+01  0.168919D+01
                 6             7             8             9            10 
      1  -0.228699D+01  0.177029D+01 -0.286535D+01 -0.973898D-01 -0.552886D-01
      2   0.168919D+01 -0.286535D+01  0.116610D+01  0.198342D+01 -0.411745D+01
      3   0.190885D+01 -0.973898D-01  0.198342D+01  0.108262D+01  0.261587D+01
                11            12            13            14            15 
      1  -0.411745D+01  0.261587D+01 -0.372191D+01  0.489425D+00  0.818301D+00
      2  -0.325529D+00  0.652978D+00  0.489425D+00  0.266403D+01 -0.157633D+01
      3   0.652978D+00 -0.277937D+01  0.818301D+00 -0.157633D+01 -0.246914D+01
                16            17            18            19            20 
      1   0.423420D+01  0.517268D+00 -0.333909D+01 -0.313503D+01  0.329700D+01
      2   0.517268D+00 -0.172699D+01 -0.362014D+01  0.329700D+01 -0.535746D+00
      3  -0.333909D+01 -0.362014D+01 -0.319004D+01 -0.170524D+01 -0.113336D+00
                21            22            23            24            25 
      1  -0.170524D+01  0.209192D+01  0.971665D+00 -0.127859D+00 -0.205186D+01
      2  -0.113336D+00  0.971665D+00 -0.827970D+01  0.643764D+00  0.920444D-01
      3   0.170769D+01 -0.127859D+00  0.643764D+00  0.198919D+01  0.180756D+01
                26            27            28            29            30 
      1   0.920444D-01  0.180756D+01  0.655110D+01 -0.372953D+01  0.286391D+01
      2  -0.543943D+00  0.195934D+01 -0.372953D+01  0.235948D+00 -0.134042D+00
      3   0.195934D+01  0.616935D+01  0.286391D+01 -0.134042D+00 -0.886835D+00
                31            32            33            34            35 
      1  -0.343197D+01 -0.118184D+00  0.185197D-01  0.410833D+01 -0.366962D+00
      2  -0.118184D+00  0.426275D+01 -0.399959D+00 -0.366962D+00 -0.839023D+00
      3   0.185197D-01 -0.399959D+00 -0.281163D+01 -0.517562D+00 -0.377614D+01
                36            37            38            39            40 
      1  -0.517562D+00 -0.415892D+01  0.306489D+01 -0.374224D+01  0.432166D+01
      2  -0.377614D+01  0.306489D+01  0.102107D+01  0.619907D-01  0.901974D+00
      3  -0.593793D+01 -0.374224D+01  0.619907D-01  0.274986D+01 -0.169746D+00
                41            42            43            44            45 
      1   0.901974D+00 -0.169746D+00 -0.497283D+01 -0.126644D+00  0.360452D+01
      2  -0.481782D+01 -0.934008D-01 -0.126644D+00  0.275173D+00  0.383944D+01
      3  -0.934008D-01  0.336305D+01  0.360452D+01  0.383944D+01  0.113857D+01
                46            47            48            49            50 
      1   0.459166D+01 -0.286747D+01  0.152084D+01 -0.209268D+01 -0.190428D+01
      2  -0.286747D+01 -0.185016D+01  0.692307D+00 -0.190428D+01  0.768342D+01
      3   0.152084D+01  0.692307D+00 -0.139308D+01  0.373557D+00 -0.290453D+00
                51            52            53            54            55 
      1   0.373557D+00  0.119324D+01  0.189090D+00 -0.756927D+00  0.114099D+02
      2  -0.290453D+00  0.189090D+00  0.758757D+00 -0.231544D+01 -0.495544D+01
      3  -0.300295D+01 -0.756927D+00 -0.231544D+01 -0.576808D+01 -0.271074D+01
                56            57            58            59            60 
      1  -0.495544D+01 -0.271074D+01 -0.533017D+01  0.445346D+01  0.164669D+01
      2   0.301419D+01  0.139802D+01  0.445346D+01 -0.425605D+01 -0.204135D+01
      3   0.139802D+01  0.156532D+01  0.164669D+01 -0.204135D+01 -0.174890D+01
                61            62            63            64            65 
      1  -0.389034D+01  0.219400D+01  0.338155D+01  0.584751D+01  0.256525D+01
      2   0.219400D+01 -0.190906D+01 -0.270993D+01  0.256525D+01  0.210842D+01
      3   0.338155D+01 -0.270993D+01 -0.337210D+01 -0.247631D+01 -0.104064D+01
                66            67            68            69            70 
      1  -0.247631D+01  0.182237D+01  0.168943D+01 -0.573460D+00 -0.355434D+01
      2  -0.104064D+01  0.168943D+01  0.151347D+01 -0.923752D+00 -0.136442D+01
      3   0.189061D+01 -0.573460D+00 -0.923752D+00  0.963920D+00  0.250613D+01
                71            72            73            74            75 
      1  -0.136442D+01  0.250613D+01  0.844371D+00  0.166559D+01  0.102110D+01
      2  -0.156254D+01  0.178359D+01  0.166559D+01  0.580986D+00  0.534983D+00
      3   0.178359D+01 -0.251137D+01  0.102110D+01  0.534983D+00  0.102444D+01
                76            77            78            79            80 
      1   0.146314D+01  0.708340D+00  0.539936D+00  0.169487D+01  0.878573D+00
      2   0.708340D+00  0.240056D+01  0.196968D+01  0.878573D+00  0.341575D+01
      3   0.539936D+00  0.196968D+01  0.200620D+01  0.202921D+01  0.286377D+01
                81            82            83            84            85 
      1   0.202921D+01 -0.293460D+00 -0.494034D+00 -0.893426D+00 -0.861253D+00
      2   0.286377D+01 -0.494034D+00 -0.157941D+00  0.817705D-01 -0.477856D+00
      3   0.562911D+01 -0.893426D+00  0.817705D-01 -0.834148D+00 -0.203820D+00
                86            87            88            89            90 
      1  -0.477856D+00 -0.203820D+00 -0.153943D+01 -0.131697D+00 -0.122762D+01
      2   0.152520D+00 -0.107232D+01 -0.131697D+00 -0.128048D+01  0.268833D+00
      3  -0.107232D+01 -0.111807D+01 -0.122762D+01  0.268833D+00 -0.795574D+01
                91            92            93            94            95 
      1  -0.121392D+00  0.126599D+01  0.169206D+00  0.152314D+01 -0.110030D+01
      2   0.126599D+01 -0.725803D+00  0.471795D-01 -0.110030D+01  0.124906D+02
      3   0.169206D+00  0.471795D-01 -0.332793D+00  0.115936D+00 -0.126995D+01
                96            97            98            99           100 
      1   0.115936D+00  0.428825D+00 -0.223383D-01 -0.388420D+00 -0.961824D+01
      2  -0.126995D+01 -0.223383D-01  0.721959D-01  0.119845D+01  0.296124D+01
      3   0.891421D+00 -0.388420D+00  0.119845D+01 -0.793726D+00 -0.120019D+01
               101           102           103           104           105 
      1   0.296124D+01 -0.120019D+01  0.218833D+01 -0.202927D+01  0.148744D+00
      2  -0.228488D+01  0.276639D+00 -0.202927D+01  0.116684D+01 -0.369740D+00
      3   0.276639D+00 -0.103246D+01  0.148744D+00 -0.369740D+00  0.655464D+00
               106           107           108           109           110 
      1  -0.250081D+01  0.743120D+00 -0.138952D+01 -0.485517D+00  0.972840D+00
      2   0.743120D+00 -0.916619D+00  0.101367D+01  0.972840D+00  0.273829D+00
      3  -0.138952D+01  0.101367D+01 -0.304296D+00  0.778119D+00  0.513845D-01
               111           112           113           114           115 
      1   0.778119D+00  0.907480D+00 -0.133459D+00 -0.348642D+00  0.107832D+01
      2   0.513845D-01 -0.133459D+00  0.165903D+01  0.203815D+01 -0.268233D+00
      3   0.406827D+00 -0.348642D+00  0.203815D+01  0.235655D+01 -0.863064D+00
               116           117           118           119           120 
      1  -0.268233D+00 -0.863064D+00  0.481191D+01 -0.206515D+01  0.396350D+01
      2   0.284864D+01  0.307762D+01 -0.206515D+01 -0.451418D+00 -0.474689D+00
      3   0.307762D+01  0.776326D+01  0.396350D+01 -0.474689D+00 -0.154321D+01
               121           122           123           124           125 
      1  -0.293644D+01  0.352897D+00 -0.898136D+00  0.340404D+01 -0.513868D+00
      2   0.352897D+00  0.751291D+01 -0.141932D+00 -0.513868D+00 -0.138073D+01
      3  -0.898136D+00 -0.141932D+00 -0.257317D+01 -0.230206D+01 -0.282220D+01
               126           127           128           129           130 
      1  -0.230206D+01 -0.525811D+01 -0.204914D+01  0.321654D+01 -0.209403D+01
      2  -0.282220D+01 -0.204914D+01 -0.167550D+01  0.817272D+00 -0.181769D+01
      3  -0.312009D+00  0.321654D+01  0.817272D+00 -0.300831D+01  0.853303D+00
               131           132           133           134           135 
      1  -0.181769D+01  0.853303D+00  0.367837D+01  0.101375D+01 -0.326179D+01
      2  -0.113274D+01  0.133097D+01  0.101375D+01  0.141860D+01 -0.182958D+01
      3   0.133097D+01 -0.169798D+01 -0.326179D+01 -0.182958D+01  0.422026D+01
               136           137           138           139           140 
      1   0.210018D+00 -0.113267D+01 -0.116457D+00 -0.147322D+01  0.105096D+01
      2  -0.113267D+01  0.121229D+01 -0.346249D+00  0.105096D+01 -0.965913D+01
      3  -0.116457D+00 -0.346249D+00  0.261673D+00 -0.372994D+00  0.148956D+01
               141           142           143           144           145 
      1  -0.372994D+00 -0.386661D+00 -0.354343D-01  0.243210D+00 -0.487391D+00
      2   0.148956D+01 -0.354343D-01 -0.236609D+00 -0.100759D+01  0.528687D+00
      3  -0.122348D+01  0.243210D+00 -0.100759D+01  0.902155D+00  0.115639D+01
               146           147           148           149           150 
      1   0.528687D+00  0.115639D+01  0.126913D+01  0.386837D+00  0.201107D-01
      2   0.219127D+00 -0.176274D+00  0.386837D+00 -0.705769D-01  0.117704D+01
      3  -0.176274D+00  0.110037D+01  0.201107D-01  0.117704D+01  0.185326D+01
               151           152           153           154           155 
      1   0.146796D+01  0.106347D+00  0.835092D+00  0.219590D+01  0.796228D+00
      2   0.106347D+00  0.121150D+01  0.310334D+00  0.796228D+00  0.114292D+01
      3   0.835092D+00  0.310334D+00  0.959284D+01 -0.157556D+01  0.145004D+00
               156           157           158           159           160 
      1  -0.157556D+01  0.857250D+00  0.614732D+00 -0.414178D-01 -0.183784D+01
      2   0.145004D+00  0.614732D+00 -0.774066D-01 -0.592531D+00 -0.283151D+00
      3   0.267703D+01 -0.414178D-01 -0.592531D+00  0.892177D+00  0.144248D+01
               161           162           163           164           165 
      1  -0.283151D+00  0.144248D+01 -0.832974D+01  0.379538D+00 -0.335253D+01
      2  -0.982764D+00  0.233911D+00  0.379538D+00 -0.139965D+01 -0.374946D-01
      3   0.233911D+00 -0.461741D+01 -0.335253D+01 -0.374946D-01 -0.226799D+01
               166           167           168           169           170 
      1   0.182048D+01 -0.106174D+01  0.828433D+00 -0.221203D+01  0.182731D+00
      2  -0.106174D+01 -0.435411D-01 -0.393762D+00  0.182731D+00 -0.182059D+00
      3   0.828433D+00 -0.393762D+00  0.107748D+01 -0.181967D+01  0.331725D+00
               171           172           173           174           175 
      1  -0.181967D+01 -0.799091D+00 -0.926994D+00 -0.455086D+00 -0.135981D+01
      2   0.331725D+00 -0.926994D+00 -0.112645D+00  0.100826D+00 -0.146082D+01
      3  -0.173600D+01 -0.455086D+00  0.100826D+00  0.235234D+00 -0.340464D+00
               176           177           178           179           180 
      1  -0.146082D+01 -0.340464D+00 -0.112289D+00  0.611745D-01  0.113350D+00
      2  -0.102127D+02 -0.117286D+01  0.611745D-01  0.394096D+00 -0.783071D+00
      3  -0.117286D+01 -0.131225D+01  0.113350D+00 -0.783071D+00  0.525160D-03
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.750409D+01  0.911751D+01 -0.253229D+01  0.867448D+01 -0.161972D+01
      2  -0.874675D+01 -0.962034D+01 -0.159003D+01 -0.866438D+01  0.158201D+01
      3  -0.509263D+01 -0.762373D+01  0.335137D+01  0.120400D+01 -0.976459D+00
                 6             7             8             9            10 
      1   0.691975D+01 -0.170990D+01  0.144301D+02 -0.409901D+01 -0.691947D+01
      2   0.610378D-01 -0.121791D+02 -0.176299D+01  0.115684D+02  0.879210D+01
      3  -0.736732D+01  0.131135D+01 -0.111036D+02  0.195393D+01  0.129800D+02
                11            12            13            14            15 
      1  -0.150511D+00  0.303137D+01 -0.312406D+01  0.229599D+01 -0.141663D+01
      2   0.160524D+01 -0.279162D+01  0.258599D+01 -0.279787D+01 -0.247616D+01
      3  -0.845181D+01  0.275619D+01 -0.483708D+00 -0.477989D+01  0.472087D+01
                16            17            18            19            20 
      1   0.349190D+01  0.928946D+01  0.654786D+01  0.509572D+01 -0.165774D+01
      2  -0.887023D+01 -0.443075D+01 -0.543325D+01 -0.114526D+01  0.152306D+01
      3   0.428720D+01  0.308196D+01 -0.266374D+00 -0.844516D+01  0.945147D+01
                21            22            23            24            25 
      1  -0.259770D+01  0.162135D+01  0.219399D+01 -0.695543D+01 -0.306671D+01
      2   0.323709D+00 -0.899394D+00  0.419850D+01 -0.120165D+01 -0.525146D+01
      3  -0.525385D+01  0.934140D+01  0.176131D+01 -0.216350D+01 -0.536861D+01
                26            27            28            29            30 
      1  -0.103694D+01 -0.130545D+02 -0.563705D+01  0.570451D+00  0.104791D+01
      2  -0.118007D+00  0.408284D+00 -0.104998D+02  0.153349D+01  0.248311D+01
      3  -0.158179D+01  0.351721D+01  0.105492D+01 -0.863100D+01  0.366519D+01
                31            32            33            34            35 
      1   0.863754D+00  0.374649D+01  0.184803D+01  0.349254D+00  0.753703D+01
      2   0.179414D+01  0.706861D+00  0.485894D+01 -0.415145D+01  0.626478D+01
      3  -0.186130D+01  0.699970D+01  0.298429D-01  0.460187D+01 -0.145861D+01
                36            37            38            39            40 
      1   0.550590D+01 -0.224168D+00  0.541095D+00  0.989689D+00  0.124817D+01
      2   0.841626D+01  0.141922D+02 -0.104863D+01  0.138989D+01 -0.681733D+01
      3  -0.597370D+01  0.796943D+01 -0.505028D+01  0.259112D+01 -0.134633D+01
                41            42            43            44            45 
      1  -0.339684D+01 -0.132253D+01 -0.134400D+01  0.642689D+01  0.232751D+01
      2  -0.185298D+01 -0.320050D+01 -0.147887D+01 -0.417724D+01 -0.213352D+01
      3  -0.998067D+01  0.135959D+01  0.542031D+01  0.119162D+01  0.268213D+01
                46            47            48            49            50 
      1  -0.101795D+01 -0.354911D+01 -0.251055D+01 -0.367540D+01  0.851064D+01
      2  -0.895569D+01  0.459511D+01  0.697487D+00  0.617895D+01  0.180902D+01
      3  -0.384869D+01  0.459033D+01 -0.237384D+01  0.112563D+02 -0.276571D+01
                51            52            53            54            55 
      1  -0.849893D+01  0.400470D+00 -0.946665D+00 -0.890646D+01 -0.447455D+01
      2   0.170272D+01 -0.889688D+01  0.468140D+00 -0.231200D+01 -0.286159D+01
      3   0.115031D+01 -0.340618D+01  0.105417D+01  0.862314D+00  0.131705D+01
                56            57            58            59            60 
      1  -0.419440D+01  0.375952D+01 -0.135348D+01  0.199579D+00 -0.722253D+01
      2   0.414519D+01  0.979183D+01  0.443367D+01 -0.347211D+01 -0.398210D+01
      3  -0.892794D+01 -0.947240D+00  0.100649D+01  0.100033D+02  0.329638D+01
                61            62            63            64            65 
      1   0.133608D+01 -0.957006D+00 -0.648488D+00  0.321391D+01  0.119515D+01
      2   0.468650D+01 -0.122338D+01 -0.104348D+02 -0.237524D+01 -0.238725D+01
      3   0.736143D+00  0.859398D+01  0.952787D+00  0.505712D+01 -0.269094D+01
                66            67            68            69            70 
      1  -0.337479D+01  0.141474D+01  0.117825D+01 -0.270053D+01 -0.370516D+01
      2   0.489461D+01 -0.779171D+00 -0.107154D+01  0.191327D+01  0.241429D+01
      3  -0.154779D+01  0.194254D+01  0.544986D+00 -0.661685D-02 -0.359354D+01
                71            72            73            74            75 
      1  -0.576063D+00  0.364904D+01 -0.143386D+01 -0.101819D+01 -0.205133D+01
      2   0.250213D+01 -0.481674D+01  0.117480D+01  0.902164D+00  0.300564D+01
      3   0.138108D+01  0.531319D+00 -0.131687D+01  0.106683D+01  0.698390D+00
                76            77            78            79            80 
      1  -0.587410D+00 -0.161092D+01 -0.392186D+01 -0.301039D+01 -0.422875D+01
      2   0.390614D+00  0.209844D+01  0.301311D+01  0.125033D+01  0.553201D+01
      3   0.270512D+01 -0.222260D+01 -0.183882D+01  0.238147D+01 -0.237117D+01
                81            82            83            84            85 
      1  -0.961250D+01  0.189278D+01  0.991582D+00  0.202486D+01  0.132281D+01
      2   0.933566D+01  0.256190D-01 -0.583923D+00  0.680968D+00 -0.156367D+01
      3  -0.328220D+00 -0.578129D+00 -0.327888D+01 -0.156767D+01 -0.179030D+01
                86            87            88            89            90 
      1   0.329687D+01  0.311236D+01  0.268212D+01  0.437692D+01  0.160399D+02
      2  -0.707328D+00 -0.409359D-01 -0.360933D+01 -0.604971D+00  0.712891D+00
      3  -0.233155D+00 -0.260013D+00 -0.299572D+01 -0.852423D+00 -0.193554D+01
                91            92            93            94            95 
      1  -0.979066D+00  0.285907D+00  0.469389D+00 -0.548042D+00 -0.165854D+01
      2  -0.414253D-01  0.448882D+00  0.111335D+01  0.209076D+01 -0.200694D+01
      3   0.131975D+00  0.921654D+00  0.936524D+00  0.730819D+01 -0.275932D+00
                96            97            98            99           100 
      1  -0.420746D+01  0.341232D+00 -0.100714D+01  0.160236D+01  0.327048D+01
      2  -0.263197D+00 -0.191587D+00 -0.761964D+00 -0.225477D+00  0.630422D+01
      3  -0.297853D+00  0.170450D+01 -0.637853D+00 -0.542638D+00 -0.804178D+01
               101           102           103           104           105 
      1  -0.117032D+01  0.229580D+01 -0.120563D+01  0.956802D+00 -0.199085D+01
      2  -0.207735D+01  0.514193D+01 -0.109352D+01  0.145152D+01 -0.186425D+01
      3  -0.398220D+01 -0.921414D+00  0.104237D+01 -0.226229D+00 -0.603842D+00
               106           107           108           109           110 
      1   0.213675D+01 -0.475196D+00  0.113945D+01  0.456942D-01  0.691245D+00
      2   0.252529D+01 -0.230207D+01  0.180414D+01 -0.795149D+00 -0.636307D+00
      3  -0.271196D+01 -0.184207D+01  0.169293D+00  0.130287D+01  0.106344D+01
               111           112           113           114           115 
      1  -0.832496D+00  0.324083D+00 -0.583351D+00 -0.293252D+01  0.791894D+00
      2  -0.643384D-01 -0.681057D+00 -0.305417D+01 -0.329596D+01 -0.236515D+01
      3   0.692536D+00  0.290442D+01  0.190014D+01  0.254139D+01  0.189984D+01
               116           117           118           119           120 
      1   0.135792D+01 -0.809744D+01  0.942132D+01 -0.765335D-01 -0.283767D+01
      2  -0.428164D+01 -0.114888D+02 -0.353135D+01 -0.911287D+00  0.123223D+02
      3   0.428737D+01  0.332183D+01 -0.112134D+02  0.267515D+00 -0.733071D+01
               121           122           123           124           125 
      1  -0.304152D+01 -0.105428D+02 -0.733795D+01 -0.289392D+01 -0.171941D+01
      2  -0.640775D+00  0.778025D+00  0.405482D+01  0.706785D+01  0.502913D+01
      3   0.710827D+01  0.139070D+02  0.592912D+00 -0.611795D+01 -0.154536D+01
               126           127           128           129           130 
      1   0.365478D+01 -0.295409D+00 -0.201655D+01 -0.117520D+01 -0.147501D+01
      2  -0.205534D+01  0.590148D+00  0.255228D+00  0.323467D+01  0.156322D+01
      3  -0.202894D+01  0.107088D+01 -0.354063D+01 -0.136185D+01  0.503839D+00
               131           132           133           134           135 
      1  -0.658517D+00 -0.139270D+01  0.375016D+00  0.180583D+01  0.756239D+00
      2  -0.278868D+00  0.256542D+01 -0.191329D+01  0.184459D+01 -0.355896D+01
      3  -0.935568D+00  0.153006D+01 -0.318856D+01  0.254196D+01 -0.243164D+00
               136           137           138           139           140 
      1  -0.710347D+00  0.565800D+00  0.144630D+00  0.366683D+00 -0.991850D+01
      2  -0.747474D+00  0.856551D+00  0.137346D+01  0.203711D+01 -0.869398D+00
      3  -0.110665D+01 -0.908290D+00  0.792031D+00  0.527083D+01  0.208053D+01
               141           142           143           144           145 
      1  -0.268578D+01  0.553800D+00 -0.282079D+00 -0.259414D+00  0.135323D+01
      2  -0.298846D+00 -0.525058D+00 -0.277692D+00 -0.150316D+00  0.129342D+01
      3   0.298431D+00  0.712213D+00  0.843448D+00  0.276913D+00  0.101467D+01
               146           147           148           149           150 
      1   0.191903D+00  0.243497D+01 -0.416317D+00  0.128158D+01  0.387488D+01
      2  -0.520763D+00 -0.109100D+01 -0.179902D+01 -0.142734D-01 -0.394388D+00
      3  -0.172031D+01 -0.167265D+01 -0.184216D+00 -0.198044D+00 -0.946262D+00
               151           152           153           154           155 
      1   0.693951D+00  0.434294D+01  0.124596D+02 -0.431964D+01 -0.315203D+01
      2  -0.330459D+01  0.307010D+00 -0.625951D-01  0.823543D+01  0.168429D+01
      3  -0.136782D+01 -0.452766D+00 -0.217296D+01 -0.216252D+01 -0.724629D+00
               156           157           158           159           160 
      1   0.417086D+01 -0.176360D+01 -0.236164D+01  0.159636D+01  0.364096D+01
      2  -0.588442D+01  0.210831D+01  0.228591D+01 -0.171382D+01 -0.801931D+01
      3   0.242788D+01  0.466770D+00 -0.855456D+00 -0.761408D+00  0.214552D+01
               161           162           163           164           165 
      1   0.423821D+01 -0.699286D+01 -0.560839D+01  0.255796D+01 -0.284472D+01
      2  -0.164625D+01  0.938990D+01 -0.290264D+01  0.107676D+01  0.357879D+01
      3  -0.379022D+00 -0.207350D+01  0.112693D+02 -0.621125D+01  0.407716D+01
               166           167           168           169           170 
      1   0.191812D+01 -0.102927D+01  0.959759D+00 -0.241060D+01  0.197807D+01
      2   0.692968D+00 -0.142265D+00 -0.176109D+01 -0.152217D+01 -0.699195D+00
      3  -0.341987D+01  0.202178D+01 -0.132798D+01  0.349388D+01 -0.122233D+01
               171           172           173           174           175 
      1  -0.266087D+01 -0.177347D+00  0.276769D+00  0.387760D+00  0.630820D+00
      2   0.216251D+01  0.799875D+00 -0.624849D+00 -0.106798D+00 -0.937409D+00
      3   0.308598D+01 -0.583046D+00 -0.108981D-03  0.773185D+00  0.264043D+01
               176           177           178           179           180 
      1   0.950465D+01 -0.422901D+01  0.567892D+00 -0.173318D+00  0.864324D+00
      2   0.135745D+01  0.232357D+01 -0.128106D+01  0.111839D+01  0.690304D-01
      3  -0.165490D+02 -0.114136D+01  0.560538D-01  0.471397D+00 -0.178866D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.228498D+02  0.131760D+02 -0.175244D+01  0.216156D+02 -0.817770D+01
      2   0.845899D+01 -0.376184D+01 -0.332394D+01 -0.150616D+02  0.196069D+01
      3   0.143908D+02 -0.941414D+01  0.507638D+01 -0.655403D+01  0.621701D+01
      4   0.252796D+02 -0.120217D+02 -0.860884D+01 -0.161190D+02  0.726483D+00
      5   0.906522D+01 -0.600483D+01 -0.377195D+01 -0.924205D+01  0.523384D+01
      6  -0.445402D+01  0.755093D+01  0.260602D+01  0.621747D+00 -0.447508D+01
                 6             7             8             9            10 
      1  -0.867226D+01  0.146000D+02 -0.960921D+01 -0.240324D+01 -0.801122D+00
      2   0.462288D+01 -0.678353D+01  0.167450D+01 -0.323900D+01 -0.251347D+01
      3   0.404939D+01 -0.781646D+01  0.793471D+01  0.564224D+01  0.331460D+01
      4   0.362499D+01 -0.132909D+02  0.116619D+02  0.100499D+02 -0.115541D+02
      5   0.850765D+01  0.244961D+01  0.531327D+01  0.125114D+02  0.109541D+02
      6  -0.730341D+01  0.394235D+01 -0.219355D+01  0.508487D+00  0.942217D+01
                11            12            13            14            15 
      1  -0.870582D+01  0.948404D+01 -0.676762D+01 -0.257978D+01  0.594534D+01
      2   0.516353D+01 -0.505956D+01  0.396016D+01  0.120292D+02 -0.363560D+01
      3   0.354229D+01 -0.442448D+01  0.280746D+01 -0.944937D+01 -0.230974D+01
      4  -0.910283D+01  0.856744D+01 -0.213908D+01 -0.167936D+01 -0.275435D+01
      5   0.624345D+01 -0.105892D+02  0.450347D+01 -0.205204D+01 -0.880990D+01
      6  -0.157796D+01 -0.756229D+01  0.159162D+01 -0.261804D+01 -0.594728D+01
                16            17            18            19            20 
      1   0.874102D+01  0.900398D+01 -0.140815D+00 -0.453087D+01 -0.154345D+01
      2  -0.436253D+01 -0.487875D+01 -0.149636D+01  0.706358D+01  0.311342D+01
      3  -0.437849D+01 -0.412523D+01  0.163718D+01 -0.253271D+01 -0.156997D+01
      4   0.100424D+02 -0.675169D+01 -0.193518D+02 -0.484183D+01 -0.710469D+00
      5  -0.125696D+02 -0.130674D+02 -0.672895D+01  0.163598D+01 -0.169069D+01
      6  -0.104245D+02 -0.143661D+02 -0.132691D+02 -0.719102D+01  0.134082D+00
                21            22            23            24            25 
      1   0.204216D+01 -0.189179D+01  0.276621D+02 -0.896964D-01  0.286258D+01
      2   0.190092D+00  0.517571D+01 -0.506897D+02  0.538294D+01  0.774172D+00
      3  -0.223226D+01 -0.328391D+01  0.230276D+02 -0.529325D+01 -0.363676D+01
      4  -0.409031D+01  0.509930D+01  0.115278D+02 -0.160465D+01 -0.445362D+01
      5  -0.124194D+01 -0.361605D+00 -0.103127D+01 -0.573089D+00  0.915331D+00
      6   0.499974D+01 -0.224677D+01  0.859265D+01  0.710017D+01  0.402978D+01
                26            27            28            29            30 
      1   0.410349D+00  0.490179D+01 -0.234896D+02  0.142230D+02 -0.978920D+01
      2  -0.231762D+00  0.117071D+02  0.513051D+01 -0.760313D+01  0.649536D+01
      3  -0.178588D+00 -0.166089D+02  0.183591D+02 -0.661988D+01  0.329383D+01
      4   0.138597D+01  0.276469D+01  0.213476D+02 -0.698508D+01  0.577179D+01
      5  -0.556178D+00 -0.481343D+01 -0.967426D+01  0.549119D+00  0.361158D+01
      6   0.710596D+01  0.173531D+02  0.322293D+01  0.726586D+00 -0.273903D+01
                31            32            33            34            35 
      1   0.972243D+01 -0.258350D+01  0.572822D+01 -0.114820D+02  0.644975D+01
      2  -0.498621D+01  0.845286D+01  0.109247D+01  0.590861D+01  0.375194D+01
      3  -0.473622D+01 -0.586935D+01 -0.682069D+01  0.557337D+01 -0.102017D+02
      4  -0.862327D+01 -0.651693D+01  0.945135D+00  0.951490D+01  0.346182D+01
      5   0.198036D+00 -0.222219D+01  0.657493D+01  0.103997D+01  0.937242D+01
      6  -0.772802D+00 -0.264791D+01 -0.942318D+01  0.880103D+00 -0.942903D+01
                36            37            38            39            40 
      1   0.107583D+02 -0.206810D+00 -0.905483D+01  0.146060D+02 -0.551736D+01
      2   0.265651D+00  0.252878D+01  0.547632D+01 -0.102154D+02  0.386682D+01
      3  -0.110240D+02 -0.232197D+01  0.357851D+01 -0.439056D+01  0.165055D+01
      4   0.104739D+02 -0.739907D+01 -0.553917D+01  0.632126D+01 -0.744905D+01
      5   0.126367D+02  0.189569D+02  0.584820D+01 -0.147411D+02  0.243207D+01
      6  -0.203451D+02  0.889571D+01 -0.146137D-02 -0.586926D+01  0.321702D+01
                41            42            43            44            45 
      1  -0.545293D+01 -0.125703D+01  0.113738D+02  0.218588D+01 -0.107736D+02
      2   0.777153D+01 -0.549452D+00 -0.898440D+01 -0.582277D+01  0.343275D+01
      3  -0.231859D+01  0.180648D+01 -0.238940D+01  0.363688D+01  0.734088D+01
      4   0.536460D+01  0.196811D+01  0.478777D+01 -0.220592D+01 -0.164211D+02
      5   0.439576D+01 -0.101543D+02 -0.157910D+02 -0.134178D+02  0.513309D+01
      6   0.311257D+00 -0.667795D+01 -0.916499D+01 -0.541052D+01  0.245323D+01
                46            47            48            49            50 
      1   0.164238D+01 -0.514240D+01  0.236884D+01 -0.248377D+01  0.144213D+02
      2  -0.151680D+01  0.699328D+01  0.365669D+01  0.398080D+01 -0.264048D+02
      3  -0.125584D+00 -0.185088D+01 -0.602554D+01 -0.149703D+01  0.119835D+02
      4  -0.603154D+01  0.385470D+00 -0.204784D+00  0.312211D+01  0.862003D+01
      5  -0.477271D+01 -0.548499D+00  0.279625D+01 -0.449867D+00 -0.263976D+01
      6  -0.514492D+01 -0.426726D+01  0.276076D+01 -0.273359D+01  0.981639D+01
                51            52            53            54            55 
      1   0.638216D+01 -0.289797D+01  0.482591D+01  0.168858D+02  0.606147D+02
      2   0.702546D+01  0.183916D+01  0.178438D+01  0.130779D+02 -0.278160D+02
      3  -0.134076D+02  0.105881D+01 -0.661029D+01 -0.299637D+02 -0.327988D+02
      4  -0.445973D+00  0.217210D+00 -0.388244D+00 -0.275898D+00 -0.360031D+02
      5   0.384915D+00  0.403708D+01 -0.432678D+00 -0.699717D+01 -0.135718D+02
      6   0.487220D+01  0.527926D+00  0.467961D+01  0.325361D+01  0.553569D+01
                56            57            58            59            60 
      1  -0.171774D+02 -0.827038D+01 -0.201337D+02  0.901087D+01  0.239353D+01
      2   0.431325D+01  0.690535D+01  0.609359D+01  0.456181D+01 -0.308625D+00
      3   0.128642D+02  0.136503D+01  0.140401D+02 -0.135727D+02 -0.208490D+01
      4   0.268103D+02  0.779598D+01  0.309244D+02 -0.248040D+02 -0.820274D+01
      5   0.572451D+01  0.162263D+02  0.810128D+01 -0.684563D+01 -0.100874D+02
      6  -0.364983D+01 -0.626357D+01 -0.423663D+01  0.823241D+01  0.109909D+02
                61            62            63            64            65 
      1  -0.130891D+02  0.413807D+01  0.522961D+01  0.210530D+02  0.599065D+01
      2   0.978220D+01 -0.618654D+00 -0.831551D+01 -0.885037D+01  0.641736D-02
      3   0.330691D+01 -0.351942D+01  0.308590D+01 -0.122026D+02 -0.599707D+01
      4   0.131534D+02 -0.992702D+01 -0.132120D+02  0.234779D+02  0.155447D+02
      5   0.201318D+02 -0.116038D+02 -0.188317D+02 -0.138953D+02 -0.584589D+01
      6  -0.843413D+01  0.121264D+02  0.753341D+01 -0.776568D+01 -0.415256D+01
                66            67            68            69            70 
      1  -0.721400D+01  0.120928D+01  0.210075D+00  0.596989D+00 -0.818334D+01
      2   0.421338D+01  0.396207D+01  0.441099D+01 -0.279191D+01  0.520302D+01
      3   0.300062D+01 -0.517134D+01 -0.462106D+01  0.219492D+01  0.298032D+01
      4  -0.970030D+01  0.125828D+02  0.109215D+02 -0.534291D+01 -0.134789D+02
      5   0.109886D+02 -0.307757D+01 -0.454528D+01  0.362877D+01  0.131625D+02
      6   0.638508D+01 -0.386736D+01 -0.514022D+01  0.611486D+01  0.822497D+01
                71            72            73            74            75 
      1  -0.117543D+01  0.189876D+01  0.120296D+01  0.330442D+01  0.198921D+01
      2  -0.134856D+01 -0.373174D+01  0.202123D+00 -0.102466D+01 -0.182572D+01
      3   0.252399D+01  0.183298D+01 -0.140508D+01 -0.227976D+01 -0.163484D+00
      4  -0.891937D+01  0.112936D+02  0.758914D+01  0.781139D+01  0.538752D+01
      5   0.777307D+01 -0.121058D+02  0.530654D+01  0.291703D+01  0.745123D+01
      6   0.787946D+01 -0.810754D+01  0.431843D+01  0.294857D+01  0.384008D+01
                76            77            78            79            80 
      1   0.144544D+01 -0.646925D+01 -0.447941D+01  0.256996D+01 -0.697631D+01
      2   0.734662D+00  0.825776D+01  0.496605D+01 -0.230460D+01  0.626341D+01
      3  -0.218010D+01 -0.178851D+01 -0.486639D+00 -0.265354D+00  0.712903D+00
      4   0.689604D+01  0.952553D+01  0.754327D+01  0.825223D+01  0.136264D+02
      5   0.194362D+01  0.613741D+01  0.586281D+01  0.973262D+01  0.103011D+02
      6   0.349259D+01  0.101446D+02  0.114481D+02  0.765925D+01  0.155360D+02
                81            82            83            84            85 
      1  -0.701075D+01  0.158851D+01  0.452793D+00 -0.217830D+00  0.147131D+00
      2  -0.150848D+01 -0.483008D+01 -0.104603D+01 -0.106923D+01 -0.154642D+01
      3   0.851923D+01  0.324157D+01  0.593241D+00  0.128707D+01  0.139929D+01
      4   0.143455D+02 -0.708302D+00  0.205560D+01 -0.186688D+01 -0.284992D+00
      5   0.182469D+02  0.231103D+01  0.526284D+00  0.741047D+01  0.620016D+00
      6   0.220852D+02 -0.157880D+01  0.115712D+01 -0.282226D+01  0.736000D+00
                86            87            88            89            90 
      1  -0.312968D+01  0.154763D+00 -0.143571D+01  0.315552D+01 -0.164009D+02
      2   0.281801D+01 -0.495836D+01 -0.251624D+01 -0.439176D+01 -0.141197D+02
      3   0.311663D+00  0.480359D+01  0.395194D+01  0.123625D+01  0.305205D+02
      4  -0.653137D+00  0.114608D+01 -0.359862D+01  0.174545D+01 -0.189108D+01
      5   0.112775D+01  0.888424D+00  0.516005D+01  0.276752D-01  0.749856D+01
      6  -0.224182D+01  0.391775D+00 -0.306651D+01  0.577641D+01 -0.227774D+02
                91            92            93            94            95 
      1  -0.220010D+01  0.127290D+01 -0.338069D+00  0.294170D+01 -0.431344D+02
      2   0.681808D+01 -0.375565D+01  0.116023D+00 -0.561760D+01  0.766554D+02
      3  -0.461798D+01  0.248275D+01  0.222046D+00  0.267590D+01 -0.335211D+02
      4  -0.206957D+01  0.111419D+02 -0.531730D+00  0.926840D+01 -0.119816D+02
      5   0.107608D+00 -0.169649D+01  0.175838D+01 -0.134561D+01  0.235728D+01
      6  -0.162579D+00  0.472145D+00 -0.846092D+00  0.124617D+01 -0.137619D+02
                96            97            98            99           100 
      1   0.462092D+01 -0.270694D+00  0.582346D+00 -0.542196D+01  0.452727D+02
      2  -0.620882D+01 -0.386185D+00  0.801646D+00  0.535408D+01 -0.186803D+02
      3   0.158790D+01  0.656879D+00 -0.138399D+01  0.678783D-01 -0.265924D+02
      4   0.108525D+01  0.655349D+00 -0.161572D+00 -0.140230D+01 -0.317223D+02
      5  -0.876172D+00  0.104501D+01 -0.789196D+00  0.635078D+00  0.343377D+01
      6   0.858879D+01 -0.144332D+01  0.974286D+01 -0.303928D+01 -0.710915D+00
               101           102           103           104           105 
      1  -0.107090D+02  0.548738D+01 -0.638815D+01  0.513901D+01 -0.835872D+00
      2   0.912642D+00 -0.224100D+01 -0.170481D+01  0.168517D+01 -0.101212D+01
      3   0.979640D+01 -0.324638D+01  0.809296D+01 -0.682418D+01  0.184800D+01
      4   0.173191D+02 -0.355539D+01  0.162896D+02 -0.103118D+02  0.216211D+01
      5  -0.473212D+00  0.681347D+01 -0.504461D+00  0.157143D+01 -0.222257D+01
      6  -0.228532D+00 -0.273977D+01  0.151369D+00 -0.854484D+00  0.332598D+01
               106           107           108           109           110 
      1   0.921270D+01 -0.256045D+01  0.347290D+01  0.139444D+01 -0.384321D+01
      2  -0.382647D+01 -0.121959D+01 -0.244767D+01 -0.140650D+01  0.230004D+01
      3  -0.538623D+01  0.378004D+01 -0.102523D+01  0.120642D-01  0.154317D+01
      4  -0.837595D+01  0.456882D+01 -0.548747D+01 -0.337518D+01  0.289033D+01
      5   0.846922D+01 -0.384673D+01  0.311022D+01 -0.160939D+01  0.169382D+01
      6  -0.350970D+01  0.363414D+01 -0.532115D+00  0.271239D+01  0.545938D+00
               111           112           113           114           115 
      1  -0.245432D+01 -0.194108D+01 -0.715820D+01 -0.632048D+01 -0.153368D+01
      2   0.117185D+01  0.102538D+01  0.535424D+01  0.354031D+01  0.202077D+01
      3   0.128247D+01  0.915701D+00  0.180396D+01  0.278017D+01 -0.487094D+00
      4   0.226155D+01  0.444605D+01 -0.442766D+01 -0.585607D+01  0.412003D+01
      5   0.425201D+01  0.223174D+01 -0.475061D+01 -0.549561D+01  0.694507D+01
      6   0.195994D+01 -0.153090D+01  0.106173D+02  0.140022D+02 -0.340460D+01
               116           117           118           119           120 
      1  -0.801410D+01 -0.155217D+02 -0.231090D+02  0.813472D+01 -0.232519D+02
      2   0.213161D+01 -0.818143D+01  0.233484D+02 -0.416369D+01  0.684762D+01
      3   0.588249D+01  0.237032D+02 -0.239372D+00 -0.397103D+01  0.164043D+02
      4  -0.845365D+01 -0.103559D+02  0.866435D+00  0.511171D+01 -0.506335D+01
      5  -0.858401D+01 -0.200305D+02 -0.210741D+02  0.442536D+01 -0.381009D+01
      6   0.144743D+02  0.260707D+02 -0.283709D+01  0.338816D+00  0.537579D+01
               121           122           123           124           125 
      1   0.135433D+02  0.144520D+02  0.126364D+01 -0.203620D+02 -0.185006D+01
      2  -0.103975D+02 -0.335518D+02 -0.631518D+01  0.738943D+01 -0.132038D+01
      3  -0.314585D+01  0.190997D+02  0.505155D+01  0.129726D+02  0.317044D+01
      4   0.374537D+01 -0.225670D+02  0.120822D+01 -0.422558D+01  0.470360D+01
      5   0.755856D+01  0.766356D+00  0.696430D+01 -0.210148D+01  0.851807D+01
      6   0.164241D+00 -0.798965D+01  0.709517D+01  0.673563D+01  0.683500D+01
               126           127           128           129           130 
      1   0.323744D+01  0.209001D+02  0.600724D+01 -0.107087D+02  0.465000D+01
      2   0.435372D+01 -0.148081D+02 -0.360857D+01  0.981287D+01 -0.132121D+01
      3  -0.759116D+01 -0.609199D+01 -0.239867D+01  0.895860D+00 -0.332879D+01
      4   0.134669D+02  0.151149D+02  0.103744D+02 -0.799806D+01  0.116207D+02
      5   0.481564D+01 -0.220714D+02 -0.664625D+01  0.188816D+02 -0.637024D+01
      6   0.413294D+01 -0.777562D+01 -0.416263D+01  0.721393D+01 -0.529871D+01
               131           132           133           134           135 
      1   0.223271D+01 -0.997812D+00 -0.887154D+01 -0.131764D+01  0.465293D+01
      2   0.520311D-01  0.378449D+00  0.104467D+02  0.275606D+01 -0.121491D+02
      3  -0.228475D+01  0.619363D+00 -0.157513D+01 -0.143842D+01  0.749615D+01
      4   0.806336D+01 -0.677270D+01 -0.892459D+01 -0.630256D+01  0.976354D+01
      5  -0.754486D+01  0.731701D+01  0.201986D+02  0.853665D+01 -0.221917D+02
      6  -0.599955D+01  0.834108D+01  0.756481D+01  0.711594D+01 -0.104826D+02
               136           137           138           139           140 
      1  -0.312115D+00  0.180017D+01 -0.877439D+00  0.128470D+01 -0.259533D+02
      2   0.411311D+01 -0.404317D+01  0.462181D+00 -0.268146D+01  0.421080D+02
      3  -0.380100D+01  0.224300D+01  0.415258D+00  0.139676D+01 -0.161547D+02
      4  -0.223242D+01  0.955331D+01 -0.133661D+01  0.682145D+01 -0.730272D+01
      5   0.803757D+00 -0.326345D+01  0.218331D+01 -0.240945D+01  0.306403D+01
      6  -0.184139D+01  0.226358D+01 -0.105870D+01  0.272924D+01 -0.184642D+02
               141           142           143           144           145 
      1   0.523994D+01 -0.512624D+00  0.501285D+00 -0.506984D+01 -0.622743D+00
      2  -0.471668D+01 -0.380157D+00  0.200428D+01  0.230955D+01 -0.447495D+01
      3  -0.523257D+00  0.892780D+00 -0.250557D+01  0.276029D+01  0.509769D+01
      4   0.172258D+01  0.842045D-01 -0.956681D+00 -0.735408D+00  0.104564D+01
      5  -0.136450D+01  0.776364D+00 -0.492765D+00  0.841298D+00  0.293000D+01
      6   0.921185D+01 -0.799048D+00  0.708783D+01 -0.299777D+01 -0.469464D+00
               146           147           148           149           150 
      1   0.876149D+00 -0.178747D+01  0.133188D+01 -0.400575D+01 -0.454757D+01
      2  -0.357194D+00 -0.269071D+01 -0.800482D+00 -0.492288D-01 -0.581926D+01
      3  -0.518956D+00  0.447818D+01 -0.531397D+00  0.405498D+01  0.103668D+02
      4   0.128183D+01 -0.190730D+01 -0.348070D+00 -0.831853D-01  0.716212D+00
      5   0.430621D+00  0.874722D+01  0.148160D+01  0.945336D+00  0.210391D+01
      6   0.124412D+01 -0.189543D+01  0.831816D+00  0.410965D-01  0.389082D+01
               151           152           153           154           155 
      1   0.300262D+00  0.568598D+00 -0.274046D+02 -0.341799D+01 -0.499221D+00
      2  -0.245019D+01 -0.291366D+01 -0.217279D+02 -0.365631D+01 -0.133904D+01
      3   0.214993D+01  0.234506D+01  0.491325D+02  0.707430D+01  0.183826D+01
      4  -0.247513D+01  0.683493D+00 -0.149544D+01 -0.628654D+01 -0.247393D+01
      5   0.609306D+01  0.150190D+00  0.868576D+01 -0.247271D+01 -0.167278D+01
      6  -0.103570D+01  0.563274D+01 -0.123799D+02  0.152198D+01 -0.320275D+01
               156           157           158           159           160 
      1   0.107901D+02 -0.271377D+01 -0.447253D+01  0.765401D+00  0.967726D+01
      2   0.186856D+01  0.110662D+01  0.376185D+01  0.313938D+01  0.830095D+00
      3  -0.126587D+02  0.160715D+01  0.710679D+00 -0.390478D+01 -0.105074D+02
      4   0.328126D+01 -0.123670D+01  0.420410D+00  0.999788D+00  0.497339D+01
      5   0.491959D+00 -0.188455D+01 -0.276970D+00 -0.213102D+01  0.413671D+01
      6  -0.590338D+01 -0.150842D+01  0.551880D+00  0.132963D+01 -0.212158D+01
               161           162           163           164           165 
      1   0.441445D+00 -0.146912D+02  0.473057D+02 -0.420189D+01  0.139775D+02
      2   0.238393D+01 -0.875813D+01 -0.312275D+02  0.475003D+01 -0.125565D+02
      3  -0.282537D+01  0.234494D+02 -0.160782D+02 -0.548139D+00 -0.142100D+01
      4   0.235394D+01 -0.458531D+01  0.114514D+02  0.766169D+01  0.510712D+01
      5   0.185979D+00  0.392661D+01  0.286342D+02 -0.977961D+00  0.179403D+02
      6   0.364496D+01  0.794328D+01  0.303788D+01  0.389736D+01  0.308718D+01
               166           167           168           169           170 
      1  -0.105677D+02  0.378740D+01 -0.298244D+01  0.102509D+02 -0.209518D+00
      2   0.828013D+01 -0.324511D+00  0.408831D+01 -0.102003D+02  0.130331D+01
      3   0.228760D+01 -0.346289D+01 -0.110587D+01 -0.505653D-01 -0.109379D+01
      4   0.460889D+01 -0.297387D-01  0.154877D+01  0.347800D+01  0.133178D+01
      5  -0.647663D+01  0.325089D+01 -0.515692D+01  0.157930D+02 -0.167525D+01
      6   0.228243D+01 -0.393969D+00  0.576923D+00  0.206577D+01  0.154034D+01
               171           172           173           174           175 
      1   0.629059D+01  0.221074D+01  0.355915D+01  0.272974D+01  0.155354D+01
      2  -0.997587D+01  0.129422D+01 -0.128591D+01 -0.116445D+01  0.385119D+01
      3   0.368528D+01 -0.350496D+01 -0.227324D+01 -0.156529D+01 -0.540473D+01
      4   0.108942D+01  0.449136D+01  0.765194D+01  0.799179D+00  0.120088D+02
      5   0.117504D+02  0.261249D+01  0.891220D+00  0.160801D+01  0.305164D+01
      6   0.194566D+01  0.126431D+01 -0.362433D-01 -0.528720D+00  0.274083D+01
               176           177           178           179           180 
      1  -0.229723D+02 -0.319468D+01  0.643587D+00 -0.836761D+00 -0.382704D+01
      2   0.494878D+02  0.265248D+01 -0.406081D+00 -0.239554D+01  0.381259D+01
      3  -0.265156D+02  0.542200D+00 -0.237506D+00  0.323231D+01  0.144512D-01
      4   0.336272D+02  0.391879D+01 -0.455595D+00 -0.145647D+01  0.196627D+01
      5   0.305853D+01  0.463881D+01  0.160982D+01  0.272722D+01 -0.482609D+00
      6   0.167087D+02  0.907775D+01  0.213409D+00  0.734778D+01  0.108057D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x         -0.102319D+01     -0.260068D+01     -0.867494D+01
   y          0.647983D+00      0.164701D+01      0.549383D+01
   z          0.483614D+00      0.122922D+01      0.410025D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.863494D+02      0.127957D+02      0.142371D+02
   yx        -0.104942D+01     -0.155509D+00     -0.173027D+00
   yy         0.845157D+02      0.125239D+02      0.139348D+02
   zx        -0.193893D+01     -0.287320D+00     -0.319687D+00
   zy         0.293359D+00      0.434713D-01      0.483684D-01
   zz         0.733527D+02      0.108698D+02      0.120942D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.856669D+02      0.126945D+02      0.141246D+02
   aniso      0.140835D+02      0.208695D+01      0.232205D+01
   xx         0.912338D+02      0.135195D+02      0.150424D+02
   yx        -0.156010D+01     -0.231183D+00     -0.257226D+00
   yy         0.887605D+02      0.131529D+02      0.146346D+02
   zx        -0.239010D+01     -0.354176D+00     -0.394074D+00
   zy         0.429540D+00      0.636513D-01      0.708217D-01
   zz         0.770063D+02      0.114112D+02      0.126966D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.31995535          0.11008730         -2.11060588
     6          1.84263234          2.50472097         -0.63005441
     6         -0.04258463          2.84197498          1.55392716
     6         -0.21654866          0.46075033          3.18084895
     6         -0.88084855         -1.90126013          1.63091891
     6          1.05624842         -2.25554022         -0.51876698
     8          1.11292954          0.09261262         -4.38743087
     1          1.82350490          4.10364108         -1.92636991
     1          3.75399859          2.33996985          0.15341856
     1         -1.89984722          3.30447612          0.77908998
     1          0.52165459          4.45520983          2.70970982
     1         -1.61855586          0.72753580          4.67359822
     1          1.60017961          0.15352772          4.12344464
     6         -3.57737787         -1.82182635          0.59113052
     1         -0.73686767         -3.54289162          2.87853827
     1          0.55110110         -3.82818113         -1.74874708
     1          2.91210222         -2.65662609          0.30790623
     1         -3.83603400         -0.29675280         -0.77353237
     1         -4.94469776         -1.54936504          2.11201673
     1         -4.03883873         -3.58488625         -0.37401979

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.130410D+01      0.331469D+01      0.110566D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.130410D+01      0.331469D+01      0.110566D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.814059D+02      0.120631D+02      0.134220D+02
   aniso      0.127783D+02      0.189355D+01      0.210685D+01
   xx         0.763263D+02      0.113104D+02      0.125845D+02
   yx         0.432569D+01      0.641001D+00      0.713210D+00
   yy         0.817275D+02      0.121108D+02      0.134750D+02
   zx        -0.315101D+01     -0.466932D+00     -0.519532D+00
   zy         0.123097D+01      0.182411D+00      0.202959D+00
   zz         0.861640D+02      0.127682D+02      0.142065D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.856669D+02      0.126945D+02      0.141246D+02
   aniso      0.140835D+02      0.208695D+01      0.232205D+01
   xx         0.799120D+02      0.118417D+02      0.131757D+02
   yx         0.447562D+01      0.663218D+00      0.737930D+00
   yy         0.856565D+02      0.126930D+02      0.141228D+02
   zx        -0.337237D+01     -0.499734D+00     -0.556029D+00
   zy         0.123786D+01      0.183432D+00      0.204095D+00
   zz         0.914321D+02      0.135488D+02      0.150751D+02

 ----------------------------------------------------------------------
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 IT IS UNWORTHY OF EXCELLENT MEN TO LOSE HOURS LIKE SLAVES IN THE LABOR
 OF CALCULATION WHICH COULD BE SAFELY RELEGATED TO ANYONE ELSE
 IF A MACHINE WERE USED.
    -- G.W. VON LEIBNIZ
 Job cpu time:       0 days  2 hours 11 minutes 16.8 seconds.
 Elapsed time:       0 days  0 hours 16 minutes 32.3 seconds.
 File lengths (MBytes):  RWF=    223 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:26:38 2021.
